data_17099 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17099 _Entry.Title ; 1H NMR Studies of the Binding of EDTA to Bovine Pancreatic Ribonuclease ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-02 _Entry.Accession_date 2010-08-02 _Entry.Last_release_date 2010-09-08 _Entry.Original_release_date 2010-09-08 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Manfred Brauer . . . 17099 2 F. Benz . W. . 17099 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID binding_constants 1 17099 pKa_values 1 17099 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'binding constants' 1 17099 'pKa values' 4 17099 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2010-09-08 2010-08-02 original author . 17099 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17099 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 416852 _Citation.Full_citation . _Citation.Title '1H NMR Studies of the Binding of EDTA to Bovine Pancreatic Ribonuclease' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochim. Biophys. Acta' _Citation.Journal_name_full . _Citation.Journal_volume 533 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 186 _Citation.Page_last 194 _Citation.Year 1978 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Manfred Brauer . . . 17099 1 2 F. Benz . W. . 17099 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17099 _Assembly.ID 1 _Assembly.Name 'ribonuclease/EDTA complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 ribonuclease 1 $ribonuclease A . yes native no no . . . 17099 1 2 EDTA 2 $entity_EDT A . yes native no no . . . 17099 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ribonuclease _Entity.Sf_category entity _Entity.Sf_framecode ribonuclease _Entity.Entry_ID 17099 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ribonuclease _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; KETAAAKFERQHMDSSTSAA SSSNYCNQMMKSRNLTKDRC KPVNTFVHESLADVQAVCSQ KNVACKNGQTNCYQSYSTMS ITDCRETGSSKYPNCAYKTT QANKHIIVACEGNPYVPVHF DASV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID EDT _Entity.Nonpolymer_comp_label $chem_comp_EDT _Entity.Number_of_monomers 124 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 1072 . "ribonuclease A" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 2 no BMRB 16010 . ribonuclease_A . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 3 no BMRB 16011 . ribonuclease_A . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 4 no BMRB 16503 . RNase_A . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 5 no BMRB 16742 . "Ribonuclease A" . . . . . 100.00 126 100.00 100.00 1.07e-85 . . . . 17099 1 6 no BMRB 17172 . RNase_A_C-dimer . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 7 no BMRB 19065 . RnaseA . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 8 no BMRB 2928 . "ribonuclease A" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 9 no BMRB 385 . "ribonuclease A" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 10 no BMRB 4031 . "bovine pancreatic ribonuclease A" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 11 no BMRB 4032 . "bovine pancreatic [C65S,C72S] ribonuclease A" . . . . . 100.00 124 98.39 98.39 1.96e-83 . . . . 17099 1 12 no BMRB 443 . "ribonuclease A" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 13 no PDB 1A2W . "Crystal Structure Of A 3d Domain-Swapped Dimer Of Bovine Pancreatic Ribonuclease A" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 14 no PDB 1A5P . "C[40,95]a Variant Of Bovine Pancreatic Ribonuclease A" . . . . . 100.00 124 98.39 98.39 1.13e-83 . . . . 17099 1 15 no PDB 1A5Q . "P93a Variant Of Bovine Pancreatic Ribonuclease A" . . . . . 100.00 124 99.19 99.19 1.89e-84 . . . . 17099 1 16 no PDB 1AFK . "Crystal Structure Of Ribonuclease A In Complex With 5'- Diphosphoadenosine-3'-Phosphate" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 17 no PDB 1AFL . "Ribonuclease A In Complex With 5'-Diphosphoadenosine 2'- Phosphate At 1.7 Angstrom Resolution" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 18 no PDB 1AFU . "Structure Of Ribonuclease A At 2.0 Angstroms From Monoclinic Crystals" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 19 no PDB 1AQP . "Ribonuclease A Copper Complex" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 20 no PDB 1BEL . "Hydrolase Phosphoric Diester, Rna" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 21 no PDB 1BZQ . "Complex Of A Dromedary Single-Domain Vhh Antibody Fragment With Rnase A" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 22 no PDB 1C0B . "Bovine Pancreatic Ribonuclease A Desiccated For 2.5 Days" . . . . . 100.00 128 100.00 100.00 1.65e-85 . . . . 17099 1 23 no PDB 1C0C . "Bovine Pancreatic Ribonuclease A Desiccated For 4.0 Days" . . . . . 100.00 128 100.00 100.00 1.65e-85 . . . . 17099 1 24 no PDB 1C8W . "Thr45gly Variant Of Ribonuclease A" . . . . . 100.00 124 99.19 99.19 1.77e-84 . . . . 17099 1 25 no PDB 1C9V . "H12a Variant Of Ribonuclease A" . . . . . 100.00 124 99.19 99.19 3.89e-84 . . . . 17099 1 26 no PDB 1C9X . "H119a Variant Of Ribonuclease A" . . . . . 100.00 124 99.19 99.19 3.89e-84 . . . . 17099 1 27 no PDB 1CJQ . "X-Ray Crystallographic Studies Of The Denaturation Of The Denaturation Of Ribonuclease S." . . . . . 81.45 101 100.00 100.00 1.90e-68 . . . . 17099 1 28 no PDB 1CJR . "X-Ray Crystallographic Studies Of Denaturation In Ribonuclease S" . . . . . 80.65 101 100.00 100.00 8.28e-68 . . . . 17099 1 29 no PDB 1D5D . "The Role Of Phenylalanine 8 In The Stabilization Of The S Protein-S Peptide Interaction: Packing And Cavities" . . . . . 81.45 101 100.00 100.00 1.90e-68 . . . . 17099 1 30 no PDB 1D5E . "The Role Of Phenylalanine 8 In The Stabilization Of The S Protein-S Peptide Interaction: Packing And Cavities" . . . . . 81.45 101 100.00 100.00 1.90e-68 . . . . 17099 1 31 no PDB 1D5H . "Rnase S(F8a). Mutant Ribonuclease S" . . . . . 81.45 101 100.00 100.00 1.90e-68 . . . . 17099 1 32 no PDB 1DFJ . "Ribonuclease Inhibitor Complexed With Ribonuclease A" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 33 no PDB 1DY5 . "Deamidated Derivative Of Bovine Pancreatic Ribonuclease" . . . . . 100.00 124 99.19 99.19 1.62e-84 . . . . 17099 1 34 no PDB 1EIC . "Crystal Structure Of F120a Mutant Of Bovine Pancreatic Ribonuclease A" . . . . . 100.00 124 99.19 99.19 3.68e-84 . . . . 17099 1 35 no PDB 1EID . "Crystal Structure Of F120g Mutant Of Bovine Pancreatic Ribonuclease A" . . . . . 100.00 124 99.19 99.19 4.20e-84 . . . . 17099 1 36 no PDB 1EIE . "Crystal Structure Of F120w Mutant Of Bovine Pancreatic Ribonuclease A" . . . . . 100.00 124 99.19 100.00 5.51e-85 . . . . 17099 1 37 no PDB 1EOS . "Crystal Structure Of Ribonuclease A Complexed With Uridylyl(2',5')guanosine (Productive Binding)" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 38 no PDB 1EOW . "Crystal Structure Of Ribonuclease A Complexed With Uridylyl(2',5')guanosine (Non-Productive Binding)" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 39 no PDB 1F0V . "Crystal Structure Of An Rnase A Dimer Displaying A New Type Of 3d Domain Swapping" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 40 no PDB 1FEV . "Crystal Structure Of The Ala4aib Mutation In Rnase S" . . . . . 81.45 101 100.00 100.00 1.90e-68 . . . . 17099 1 41 no PDB 1FS3 . "Crystal Structure Of Wild-Type Bovine Pancreatic Ribonuclease A" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 42 no PDB 1IZP . "F46l Mutant Of Bovine Pancreatic Ribonuclease A" . . . . . 100.00 124 99.19 99.19 8.16e-85 . . . . 17099 1 43 no PDB 1IZQ . "F46v Mutant Of Bovine Pancreatic Ribonuclease A" . . . . . 100.00 124 99.19 99.19 1.59e-84 . . . . 17099 1 44 no PDB 1IZR . "F46a Mutant Of Bovine Pancreatic Ribonuclease A" . . . . . 100.00 124 99.19 99.19 3.68e-84 . . . . 17099 1 45 no PDB 1J7Z . "Osmolyte Stabilization Of Ribonuclease" . . . . . 83.87 104 100.00 100.00 3.45e-70 . . . . 17099 1 46 no PDB 1J80 . "Osmolyte Stabilization Of Rnase" . . . . . 83.87 104 100.00 100.00 3.45e-70 . . . . 17099 1 47 no PDB 1J81 . "Osmolyte Stabilization Of Rnase" . . . . . 83.87 104 100.00 100.00 3.45e-70 . . . . 17099 1 48 no PDB 1J82 . "Osmolyte Stabilization Of Rnase" . . . . . 83.87 104 100.00 100.00 3.45e-70 . . . . 17099 1 49 no PDB 1JN4 . "The Crystal Structure Of Ribonuclease A In Complex With 2'- Deoxyuridine 3'-Pyrophosphate (P'-5') Adenosine" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 50 no PDB 1JS0 . "Crystal Structure Of 3d Domain-Swapped Rnase A Minor Trimer" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 51 no PDB 1JVT . "Crystal Structure Of Ribonuclease A (Ligand-Free Form)" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 52 no PDB 1JVU . "Crystal Structure Of Ribonuclease A (Complexed Form)" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 53 no PDB 1JVV . "Crystal Structure Of Ribonuclease A (Retro-Soaked Form)" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 54 no PDB 1KF2 . "Atomic Resolution Structure Of Rnase A At Ph 5.2" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 55 no PDB 1KF3 . "Atomic Resolution Structure Of Rnase A At Ph 5.9" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 56 no PDB 1KF4 . "Atomic Resolution Structure Of Rnase A At Ph 6.3" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 57 no PDB 1KF5 . "Atomic Resolution Structure Of Rnase A At Ph 7.1" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 58 no PDB 1KF7 . "Atomic Resolution Structure Of Rnase A At Ph 8.0" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 59 no PDB 1KF8 . "Atomic Resolution Structure Of Rnase A At Ph 8.8" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 60 no PDB 1KH8 . "Structure Of A Cis-Proline (P114) To Glycine Variant Of Ribonuclease A" . . . . . 100.00 125 99.19 99.19 2.65e-84 . . . . 17099 1 61 no PDB 1LSQ . "Ribonuclease A With Asn 67 Replaced By A Beta-Aspartyl Residue" . . . . . 100.00 124 99.19 99.19 1.62e-84 . . . . 17099 1 62 no PDB 1O0F . "Rnase A In Complex With 3',5'-Adp" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 63 no PDB 1O0H . "Ribonuclease A In Complex With 5'-Adp" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 64 no PDB 1O0M . "Ribonuclease A In Complex With Uridine-2'-Phosphate" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 65 no PDB 1O0N . "Ribonuclease A In Complex With Uridine-3'-phosphate" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 66 no PDB 1O0O . "Ribonuclease A In Complex With Adenosine-2',5'-Diphosphate" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 67 no PDB 1QHC . "Crystal Structure Of Ribonuclease A In Complex With 5'- Phospho-2'-Deoxyuridine-3'-Pyrophosphate Adenosine-3'- Phosphate" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 68 no PDB 1RAR . "Crystal Structure Of A Fluorescent Derivative Of Rnase A" . . . . . 99.19 123 100.00 100.00 9.82e-85 . . . . 17099 1 69 no PDB 1RAS . "Crystal Structure Of A Fluorescent Derivative Of Rnase A" . . . . . 99.19 123 100.00 100.00 9.82e-85 . . . . 17099 1 70 no PDB 1RAT . "Effects Of Temperature On Protein Structure And Dynamics: X- Ray Crystallographic Studies Of The Protein Ribonuclease-A At Nine" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 71 no PDB 1RBB . "The Crystal Structure Of Ribonuclease B At 2.5-Angstroms Resolution" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 72 no PDB 1RBC . "Crystallographic Structures Of Ribonuclease S Variants With Nonpolar Substitution At Position 13: Packing And Cavities" . . . . . 83.87 104 100.00 100.00 3.45e-70 . . . . 17099 1 73 no PDB 1RBD . "Crystallographic Structures Of Ribonuclease S Variants With Nonpolar Substitution At Position 13: Packing And Cavities" . . . . . 83.87 104 100.00 100.00 3.45e-70 . . . . 17099 1 74 no PDB 1RBE . "Crystallographic Structures Of Ribonuclease S Variants With Nonpolar Substitution At Position 13: Packing And Cavities" . . . . . 83.87 104 100.00 100.00 3.45e-70 . . . . 17099 1 75 no PDB 1RBF . "Crystallographic Structures Of Ribonuclease S Variants With Nonpolar Substitution At Position 13: Packing And Cavities" . . . . . 83.87 104 100.00 100.00 3.45e-70 . . . . 17099 1 76 no PDB 1RBG . "Crystallographic Structures Of Ribonuclease S Variants With Nonpolar Substitution At Position 13: Packing And Cavities" . . . . . 83.87 104 100.00 100.00 3.45e-70 . . . . 17099 1 77 no PDB 1RBH . "Crystallographic Structures Of Ribonuclease S Variants With Nonpolar Substitution At Position 13: Packing And Cavities" . . . . . 83.87 104 100.00 100.00 3.45e-70 . . . . 17099 1 78 no PDB 1RBI . "Crystallographic Structures Of Ribonuclease S Variants With Nonpolar Substitution At Position 13: Packing And Cavities" . . . . . 83.87 104 100.00 100.00 3.45e-70 . . . . 17099 1 79 no PDB 1RBJ . "Ribonuclease B Complex With D(Tetra-(Deoxy-Adenylate))" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 80 no PDB 1RBN . "The Structure Of Ribonuclease A Derivative Ii At 2.1 Angstroms Resolution" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 81 no PDB 1RBW . "Ribonuclease A (E.C.3.1.27.5) With Guanidinium" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 82 no PDB 1RBX . "Ribonuclease A (E.C.3.1.27.5) Control" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 83 no PDB 1RCA . "Structure Of The Crystalline Complex Of Deoxycytidylyl-3', 5'-Guanosine (3',5'-Dcpdg) Co-Crystalised With Ribonuclease At 1.9 A" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 84 no PDB 1RCN . "Crystal Structure Of The Ribonuclease A D(Aptpapapg) Complex : Direct Evidence For Extended Substrate Recognition" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 85 no PDB 1RHA . "Water Dependent Domain Motion And Flexibility In Ribonuclease A And The Invariant Features In Its Hydration Shell. An X-Ray Stu" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 86 no PDB 1RHB . "Water Dependent Domain Motion And Flexibility In Ribonuclease A And The Invariant Features In Its Hydration Shell. An X-Ray Stu" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 87 no PDB 1RNC . "Newly Observed Binding Mode In Pancreatic Ribonuclease" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 88 no PDB 1RND . "Newly Observed Binding Mode In Pancreatic Ribonuclease" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 89 no PDB 1RNM . "Ribonuclease A Complex With Cytidylic Acid (5'cmp) Crystallized From 80% Ammonium Sulphate" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 90 no PDB 1RNN . "Ribonuclease A Complex With Cytidylic Acid (5'cmp) Crystallized From 8m Sodium Formate" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 91 no PDB 1RNO . "Ribonuclease A Crystallized From 80% Ammonium Sulphate" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 92 no PDB 1RNQ . "Ribonuclease A Crystallized From 8m Sodium Formate" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 93 no PDB 1RNU . "Refinement Of The Crystal Structure Of Ribonuclease S. Comparison With And Between The Various Ribonuclease A Structures" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 94 no PDB 1RNV . "Refinement Of The Crystal Structure Of Ribonuclease S. Comparison With And Between The Various Ribonuclease A Structures" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 95 no PDB 1RNW . "Recombinant Ribonuclease A Crystallized From 80% Ammonium Sulphate" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 96 no PDB 1RNX . "Ribonuclease A Crystallized From 3m Sodium Chloride, 30% Ammonium Sulfate" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 97 no PDB 1RNY . "Ribonuclease A Crystallized From 3m Cesium Chloride, 30% Ammonium Sulfate" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 98 no PDB 1RNZ . "Ribonuclease A Crystallized From 2.5m Sodium Chloride, 3.3m Sodium Formate" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 99 no PDB 1ROB . "Structure Of The Crystalline Complex Of Cytidylic Acid (2'- Cmp) With Ribonuclease At 1.6 Angstroms Resolution" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 100 no PDB 1RPF . "The Structures Of Rnase Complexed With 3'-Cmp And D(Cpa): Active Site Conformation And Conserved Water Molecules" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 101 no PDB 1RPG . "Structures Of Rnase A Complexed With 3'-Cmp And D(Cpa): Active Site Conformation And Conserved Water Molecules" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 102 no PDB 1RPH . "Structures Of Rnase A Complexed With 3'-Cmp And D(Cpa): Active Site Conformation And Conserved Water Molecules" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 103 no PDB 1RSM . "The 2-Angstroms Resolution Structure Of A Thermostable Ribonuclease A Chemically Cross-Linked Between Lysine Residues 7 And 41" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 104 no PDB 1RTA . "Crystal Structure Disposition Of Thymidylic Acid Tetramer In Complex With Ribonuclease A" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 105 no PDB 1RTB . "Crystal Structure Disposition Of Thymidylic Acid Tetramer In Complex With Ribonuclease A" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 106 no PDB 1RUV . "Ribonuclease A-Uridine Vanadate Complex: High Resolution Resolution X-Ray Structure (1.3 A)" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 107 no PDB 1SRN . "The Refined Crystal Structure Of A Fully Active Semisynthetic Ribonuclease At 1.8 Angstroms Resolution" . . . . . 95.16 118 100.00 100.00 1.80e-80 . . . . 17099 1 108 no PDB 1SSA . "A Structural Investigation Of Catalytically Modified F12ol And F12oy Semisynthetic Ribonucleases" . . . . . 95.16 118 100.00 100.00 1.80e-80 . . . . 17099 1 109 no PDB 1SSB . "A Structural Investigation Of Catalytically Modified F12ol And F12oy Semisynthetic Ribonucleases" . . . . . 95.16 118 100.00 100.00 1.80e-80 . . . . 17099 1 110 no PDB 1SSC . "The 1.6 Angstroms Structure Of A Semisynthetic Ribonuclease Crystallized From Aqueous Ethanol. Comparison With Crystals From Sa" . . . . . 90.32 112 100.00 100.00 3.17e-75 . . . . 17099 1 111 no PDB 1U1B . "Structure Of Bovine Pancreatic Ribonuclease A In Complex With 3'-phosphothymidine (3'-5')-pyrophosphate Adenosine 3'-phosphate" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 112 no PDB 1W4O . "Binding Of Nonnatural 3'-Nucleotides To Ribonuclease A" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 113 no PDB 1W4P . "Binding Of Nonnatural 3'-Nucleotides To Ribonuclease A" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 114 no PDB 1W4Q . "Binding Of Nonnatural 3'-Nucleotides To Ribonuclease A" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 115 no PDB 1WBU . "Fragment Based Lead Discovery Using Crystallography" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 116 no PDB 1XPS . "Bovine Ribonuclease A (Phosphate-Free) (93 % Humidity)" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 117 no PDB 1XPT . "Bovine Ribonuclease A (Phosphate-Free)" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 118 no PDB 1YMN . "The Study Of Reductive Unfolding Pathways Of Rnase A (Y92l Mutant)" . . . . . 100.00 124 99.19 99.19 1.35e-84 . . . . 17099 1 119 no PDB 1YMR . "The Study Of Reductive Unfolding Pathways Of Rnase A (Y92a Mutant)" . . . . . 100.00 124 99.19 99.19 2.74e-84 . . . . 17099 1 120 no PDB 1YMW . "The Study Of Reductive Unfolding Pathways Of Rnase A (Y92g Mutant)" . . . . . 100.00 124 99.19 99.19 3.93e-84 . . . . 17099 1 121 no PDB 1Z3L . "X-Ray Crystal Structure Of A Mutant Ribonuclease S (F8anb)" . . . . . 83.87 104 100.00 100.00 3.45e-70 . . . . 17099 1 122 no PDB 1Z3M . "Crystal Structure Of Mutant Ribonuclease S (F8nva)" . . . . . 83.87 104 100.00 100.00 3.45e-70 . . . . 17099 1 123 no PDB 1Z3P . "X-Ray Crystal Structure Of A Mutant Ribonuclease S (M13nva)" . . . . . 83.87 104 100.00 100.00 3.45e-70 . . . . 17099 1 124 no PDB 1Z6D . "Ribonuclease A- Imp Complex" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 125 no PDB 1Z6S . "Ribonuclease A- Amp Complex" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 126 no PDB 2AAS . "High-Resolution Three-Dimensional Structure Of Ribonuclease A In Solution By Nuclear Magnetic Resonance Spectroscopy" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 127 no PDB 2BLP . "Rnase Before Unattenuated X-Ray Burn" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 128 no PDB 2BLZ . 'Rnase After A High Dose X-Ray "burn"' . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 129 no PDB 2E33 . "Structural Basis For Selection Of Glycosylated Substrate By Scffbs1 Ubiquitin Ligase" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 130 no PDB 2E3W . "X-Ray Structure Of Native Rnase A" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 131 no PDB 2G4W . "Anomalous Substructure Of Ribonuclease A (c2)" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 132 no PDB 2G4X . "Anomalous Substructure Od Ribonuclease A (P3221)" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 133 no PDB 2G8Q . "The Crystal Structure Of Rnase A From Monoclinic Crystals At 100 K" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 134 no PDB 2G8R . "The Crystal Structure Of The Rnase A- 3-N-Piperidine-4- Carboxyl-3-Deoxy-Ara-Uridine Complex" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 135 no PDB 2NUI . "X-Ray Structure Of Synthetic [d83a]rnase A" . . . . . 100.00 124 99.19 99.19 2.96e-84 . . . . 17099 1 136 no PDB 2OP2 . "Crystal Structure Of Rnase Double-Mutant V43c R85c With Extra Disulphide Bond" . . . . . 100.00 124 98.39 98.39 9.74e-83 . . . . 17099 1 137 no PDB 2OQF . "Structure Of A Synthetic, Non-Natural Analogue Of Rnase A: [n71k(Ade), D83a]rnase A" . . . . . 100.00 124 98.39 98.39 2.46e-83 . . . . 17099 1 138 no PDB 2P42 . "Complex Of A Camelid Single-Domain Vhh Antibody Fragment With Rnase A At 1.8a Resolution: Se3-Mono-2 Crystal Form With Three Se" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 139 no PDB 2P43 . "Complex Of A Camelid Single-Domain Vhh Antibody Fragment With Rnase A At 1.65a Resolution: Se3-Mono-1 Crystal Form With Three S" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 140 no PDB 2P44 . "Complex Of A Camelid Single-Domain Vhh Antibody Fragment With Rnase A At 1.8a Resolution: Se5a-Mono-1 Crystal Form With Five Se" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 141 no PDB 2P45 . "Complex Of A Camelid Single-domain Vhh Antibody Fragment With Rnase A At 1.1a Resolution: Se5b-ortho-1 Crystal Form With Five S" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 142 no PDB 2P46 . "Complex Of A Camelid Single-Domain Vhh Antibody Fragment With Rnase A At 2.5a Resolution: Se5b-Ortho-2 Crystal Form With Five S" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 143 no PDB 2P47 . "Complex Of A Camelid Single-Domain Vhh Antibody Fragment With Rnase A At 2.5a Resolution: Se5b-Tri Crystal Form With Five Se-Me" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 144 no PDB 2P48 . "Complex Of A Camelid Single-Domain Vhh Antibody Fragment With Rnase A At 2.3a Resolution: Se5b-Tetra Crystal Form With Five Se-" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 145 no PDB 2P49 . "Complex Of A Camelid Single-Domain Vhh Antibody Fragment With Rnase A At 1.4a Resolution: Native Mono_1 Crystal Form" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 146 no PDB 2P4A . "X-Ray Structure Of A Camelid Affinity Matured Single-Domain Vhh Antibody Fragment In Complex With Rnase A" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 147 no PDB 2QCA . "A New Crystal Form Of Bovine Pancreatic Rnase A In Complex With 2'- Deoxyguanosine-5'-Monophosphate" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 148 no PDB 2RAT . "Effects Of Temperature On Protein Structure And Dynamics: X- Ray Crystallographic Studies Of The Protein Ribonuclease-A At Nine" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 149 no PDB 2RLN . "Thermodynamic And Structural Consequences Of Changing A Sulphur Atom To A Methylene Group In The M13nle Mutation In Ribonucleas" . . . . . 87.90 109 100.00 100.00 2.61e-73 . . . . 17099 1 150 no PDB 2RNS . "Refinement Of The Crystal Structure Of Ribonuclease S. Comparison With And Between The Various Ribonuclease A Structures" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 151 no PDB 2W5G . "Rnase A-5'-Atp Complex" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 152 no PDB 2W5I . "Rnase A-Ap3a Complex" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 153 no PDB 2W5K . "Rnase A-Nadph Complex" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 154 no PDB 2W5L . "Rnase A-Nadp Complex" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 155 no PDB 2W5M . "Rnase A-Pyrophosphate Ion Complex" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 156 no PDB 2XOG . "Functional And Structural Analyses Of N-Acylsulfonamide- Linked Dinucleoside Inhibitors Of Ribonuclease A" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 157 no PDB 2XOI . "Functional And Structural Analyses Of N-Acylsulfonamide- Linked Dinucleoside Inhibitors Of Ribonuclease A" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 158 no PDB 3A1R . "Neutron Crystal Structure Analysis Of Bovine Pancreatic Ribonuclease A" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 159 no PDB 3D6O . "The Rnase A- 5'-Deoxy-5'-N-(Ethyl Isonipecotatyl)uridine Complex" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 160 no PDB 3D6P . "Rnase A- 5'-Deoxy-5'-N-Morpholinouridine Complex" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 161 no PDB 3D6Q . "The Rnase A- 5'-Deoxy-5'-N-Piperidinouridine Complex" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 162 no PDB 3D7B . "The Ribonuclease A- 5'-Deoxy-5'-N-Pyrrolidinouridine Complex" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 163 no PDB 3D8Y . "Rnase A- 5'-deoxy-5'-n-piperidinothymidine Complex" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 164 no PDB 3D8Z . "Rnase A- 5'-deoxy-5'-n-pyrrolidinothymidine Complex" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 165 no PDB 3DH5 . "Crystal Structure Of Bovine Pancreatic Ribonuclease A (Wild- Type)" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 166 no PDB 3DH6 . "Crystal Structure Of Bovine Pancreatic Ribonuclease A Variant (V47a)" . . . . . 100.00 124 99.19 99.19 8.90e-85 . . . . 17099 1 167 no PDB 3DI7 . "Crystal Structure Of Bovine Pancreatic Ribonuclease A Variant (V54a)" . . . . . 100.00 124 99.19 99.19 8.90e-85 . . . . 17099 1 168 no PDB 3DI8 . "Crystal Structure Of Bovine Pancreatic Ribonuclease A Variant (V57a)" . . . . . 100.00 124 99.19 99.19 8.90e-85 . . . . 17099 1 169 no PDB 3DI9 . "Crystal Structure Of Bovine Pancreatic Ribonuclease A Variant (I81a)" . . . . . 100.00 124 99.19 99.19 1.57e-84 . . . . 17099 1 170 no PDB 3DIB . "Crystal Structure Of Bovine Pancreatic Ribonuclease A Variant (I106a)" . . . . . 100.00 124 99.19 99.19 1.57e-84 . . . . 17099 1 171 no PDB 3DIC . "Crystal Structure Of Bovine Pancreatic Ribonuclease A Variant (V108a)" . . . . . 100.00 124 99.19 99.19 8.90e-85 . . . . 17099 1 172 no PDB 3DXG . "Ribonuclease A- Uridine 5' Phosphate Complex" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 173 no PDB 3DXH . "Ribonuclease A Uridine 5' Diphosphate Complex" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 174 no PDB 3EUX . "Crystal Structure Of Crosslinked Ribonuclease A" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 175 no PDB 3EUY . "Crystal Structure Of Ribonuclease A In 50% Dioxane" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 176 no PDB 3EUZ . "Crystal Structure Of Ribonuclease A In 50% Dimethylformamide" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 177 no PDB 3EV0 . "Crystal Structure Of Ribonuclease A In 70% Dimethyl Sulfoxide" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 178 no PDB 3EV1 . "Crystal Structure Of Ribonuclease A In 70% Hexanediol" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 179 no PDB 3EV2 . "Crystal Structure Of Ribonuclease A In 70% Isopropanol" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 180 no PDB 3EV3 . "Crystal Structure Of Ribonuclease A In 70% T-Butanol" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 181 no PDB 3EV4 . "Crystal Structure Of Ribonuclease A In 50% Trifluoroethanol" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 182 no PDB 3EV5 . "Crystal Structure Of Ribonuclease A In 1m Trimethylamine N-Oxide" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 183 no PDB 3EV6 . "Crystal Structure Of Ribonuclease A In 50% R,S,R-Bisfuranol" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 184 no PDB 3FL0 . "X-Ray Structure Of The Non Covalent Swapped Form Of The Q28lK31CS32C MUTANT OF BOVINE PANCREATIC RIBONUCLEASE IN Complex With 2" . . . . . 100.00 124 97.58 97.58 5.71e-83 . . . . 17099 1 185 no PDB 3I67 . "Ribonuclease A By Lb Nanotemplate Method After High X-Ray Dose On Esrf Id14-2 Beamline" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 186 no PDB 3I6F . "Ribonuclease A By Classical Hanging Drop Method Before High X-Ray Dose On Esrf Id14-2 Beamline" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 187 no PDB 3I6H . "Ribonuclease A By Lb Nanotemplate Method Before High X-Ray Dose On Esrf Id14-2 Beamline" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 188 no PDB 3I6J . "Ribonuclease A By Classical Hanging Drop Method After High X-Ray Dose On Esrf Id14-2 Beamline" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 189 no PDB 3I7W . "High Pressure Structure Of Wild-Type Rnase A (0.67 Gpa)" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 190 no PDB 3I7X . "High Pressure Structure Of I106a Rnase A Variant (0.35 Gpa)" . . . . . 100.00 124 99.19 99.19 1.57e-84 . . . . 17099 1 191 no PDB 3I7Y . "High Pressure Structure Of I106a Variant Of Rnase A (0.48 Gpa)" . . . . . 100.00 124 99.19 99.19 1.57e-84 . . . . 17099 1 192 no PDB 3JW1 . "Crystal Structure Of Bovine Pancreatic Ribonuclease Complexed With Uridine-5'-monophosphate At 1.60 A Resolution" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 193 no PDB 3LXO . "The Crystal Structure Of Ribonuclease A In Complex With Thymidine-3'- Monophosphate" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 194 no PDB 3MWQ . "Crystal Structure Of Ribonuclease A Tandem Enzymes And Their Interaction With The Cytosolic Ribonuclease Inhibitor" . . . . . 100.00 256 100.00 100.00 1.18e-83 . . . . 17099 1 195 no PDB 3MWR . "Crystal Structure Of Ribonuclease A Tandem Enzymes And Their Interaction With The Cytosolic Ribonuclease Inhibitor" . . . . . 100.00 254 100.00 100.00 1.01e-83 . . . . 17099 1 196 no PDB 3MX8 . "Crystal Structure Of Ribonuclease A Tandem Enzymes And Their Interaction With The Cytosolic Ribonuclease Inhibitor" . . . . . 100.00 252 100.00 100.00 1.48e-83 . . . . 17099 1 197 no PDB 3MZQ . "Rnase Crystals Grown By The Hanging Drop Method" . . . . . 100.00 128 100.00 100.00 1.65e-85 . . . . 17099 1 198 no PDB 3MZR . "Rnase Crystals Grown In Loops/micromounts" . . . . . 100.00 128 100.00 100.00 1.65e-85 . . . . 17099 1 199 no PDB 3OQY . "Semi-Synthetic Ribonuclease S: Para-Cyano-Phenylalanine At Position 8" . . . . . 83.87 104 100.00 100.00 3.45e-70 . . . . 17099 1 200 no PDB 3OQZ . "Semi-Synthetic Ribonuclease S: Meta-Cyano-Phenylalanine At Position 8" . . . . . 83.87 104 100.00 100.00 3.45e-70 . . . . 17099 1 201 no PDB 3OR0 . "Semi-Synthetic Ribonuclease S: Cyanylated Homocysteine At Position 13" . . . . . 83.87 104 100.00 100.00 3.45e-70 . . . . 17099 1 202 no PDB 3QL1 . "Crystal Structure Of Ribonuclease A Variant A4c/d83e/v118c" . . . . . 100.00 124 97.58 98.39 8.00e-83 . . . . 17099 1 203 no PDB 3QL2 . "Crystal Structure Of Ribonuclease A Variant A4c/d83e/v118c" . . . . . 100.00 124 97.58 98.39 8.00e-83 . . . . 17099 1 204 no PDB 3QSK . "5 Histidine Variant Of The Anti-Rnase A Vhh In Complex With Rnase A" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 205 no PDB 3RAT . "Effects Of Temperature On Protein Structure And Dynamics: X- Ray Crystallographic Studies Of The Protein Ribonuclease-A At Nine" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 206 no PDB 3RH1 . "X-ray Structure Of A Cis-proline (p114) To Alanine Variant Of Ribonuclease A" . . . . . 100.00 124 99.19 99.19 1.89e-84 . . . . 17099 1 207 no PDB 3RID . "X-ray Structure Of The C-terminal Swapped Dimer Of P114a Variant Of Ribonuclease A" . . . . . 100.00 124 99.19 99.19 1.89e-84 . . . . 17099 1 208 no PDB 3RN3 . "Segmented Anisotropic Refinement Of Bovine Ribonuclease A By The Application Of The Rigid-Body Tls Model" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 209 no PDB 3RSD . "Structure Of The D121n Variant Of Ribonuclease A" . . . . . 100.00 124 99.19 100.00 1.03e-84 . . . . 17099 1 210 no PDB 3RSK . "Structure Of The K7aR10AK66A VARIANT OF RIBONUCLEASE A" . . . . . 100.00 124 97.58 97.58 1.01e-82 . . . . 17099 1 211 no PDB 3RSP . "Structure Of The P93g Variant Of Ribonuclease A" . . . . . 100.00 124 99.19 99.19 2.83e-84 . . . . 17099 1 212 no PDB 3SRN . "Structural Changes That Accompany The Reduced Catalytic Efficiency Of Two Semisynthetic Ribonuclease Analogs" . . . . . 91.13 113 100.00 100.00 5.90e-76 . . . . 17099 1 213 no PDB 4AO1 . "High Resolution Crystal Structure Of Bovine Pancreatic Ribonuclease Crystallized Using Ionic Liquid" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 214 no PDB 4G8V . "Crystal Structure Of Ribonuclease A In Complex With 5a" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 215 no PDB 4G8Y . "Crystal Structure Of Ribonuclease A In Complex With 5b" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 216 no PDB 4G90 . "Crystal Structure Of Ribonuclease A In Complex With 5e" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 217 no PDB 4J5Z . "Crystal Structure Of Ribonuclease A In Aqueous Solution: One Of Twelve In Mscs Set" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 218 no PDB 4J60 . "Crystal Structure Of Ribonuclease A Soaked In 25% Cyclopentanol: One Of Twelve In Mscs Set" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 219 no PDB 4J61 . "Crystal Structure Of Ribonuclease A Soaked In 40% Cyclopentanone: One Of Twelve In Mscs Set" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 220 no PDB 4J62 . "Crystal Structure Of Ribonuclease A Soaked In 40% Cyclohexanol: One Of Twelve In Mscs Set" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 221 no PDB 4J63 . "Crystal Structure Of Ribonuclease A Soaked In 40% Cyclohexanone: One Of Twelve In Mscs Set" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 222 no PDB 4J64 . "Crystal Structure Of Ribonuclease A Soaked In 40% Dioxane: One Of Twelve In Mscs Set" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 223 no PDB 4J65 . "Crystal Structure Of Ribonuclease A Soaked In 40% Dimethylformamide: One Of Twelve In Mscs Set" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 224 no PDB 4J66 . "Crystal Structure Of Ribonuclease A Soaked In 25% Dimethyl Sulfoxide: One Of Twelve In Mscs Set" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 225 no PDB 4J67 . "Crystal Structure Of Ribonuclease A Soaked In 50% 1,6-hexanediol: One Of Twelve In Mscs Set" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 226 no PDB 4J68 . "Crystal Structure Of Ribonuclease A Soaked In 40% Isopropanol: One Of Twelve In Mscs Set" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 227 no PDB 4J69 . "Crystal Structure Of Ribonuclease A Soaked In 50% S,r,s-bisfuranol: One Of Twelve In Mscs Set" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 228 no PDB 4J6A . "Crystal Structure Of Ribonuclease A Soaked In 40% 2,2,2- Trifluoroethanol: One Of Twelve In Mscs Set" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 229 no PDB 4K7L . "Crystal Structure Of Rnase S Variant (k7c/q11c)" . . . . . 83.87 104 100.00 100.00 3.45e-70 . . . . 17099 1 230 no PDB 4L55 . "X-ray Structure Of The Adduct Between Bovine Pancreatic Ribonuclease And Aziru" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 231 no PDB 4MXF . "X-ray Structure Of The Adduct Between Bovine Pancreatic Ribonuclease And Auoxo6, A Dinuclear Gold(iii) Complex With -dioxo Brid" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 232 no PDB 4O36 . "Semisynthetic Rnase S1-15-h7/11-q10" . . . . . 83.87 104 100.00 100.00 3.45e-70 . . . . 17099 1 233 no PDB 4O37 . "Seminsynthetic Rnase S1-15-3pl-7/11" . . . . . 83.87 104 100.00 100.00 3.45e-70 . . . . 17099 1 234 no PDB 4OKF . "Rnase S In Complex With An Artificial Peptide" . . . . . 83.87 104 100.00 100.00 3.45e-70 . . . . 17099 1 235 no PDB 4OOH . "Structure Of Ribonuclease A At 40c" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 236 no PDB 4OT4 . "X-ray Structure Of The Adduct Formed Between Cisplatin And Ribonuclease A" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 237 no PDB 4PEQ . "Structure Of Bovine Ribonuclease Inhibitor Complexed With Bovine Ribonuclease I" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 238 no PDB 4POU . "Vhh-metal In Complex With Rnase A" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 239 no PDB 4QH3 . "X-ray Structure Of The Adduct Formed Between Bovine Pancreatic Ribonuclease And Trans-dimethylamine Methylamine Dichlorido Plat" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 240 no PDB 4RAT . "Effects Of Temperature On Protein Structure And Dynamics: X- Ray Crystallographic Studies Of The Protein Ribonuclease-A At Nine" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 241 no PDB 4RSD . "Structure Of The D121a Variant Of Ribonuclease A" . . . . . 100.00 124 99.19 99.19 2.96e-84 . . . . 17099 1 242 no PDB 4RSK . "Structure Of The K7aR10AK66A VARIANT OF RIBONUCLEASE A Complexed With 3'-Ump" . . . . . 100.00 124 97.58 97.58 1.01e-82 . . . . 17099 1 243 no PDB 4RTE . "The X-ray Structure Of Bovine Pancreatic Ribonuclease Incubated In The Presence Of An Excess Of Cisplatin (1:10 Ratio)" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 244 no PDB 4SRN . "Structural Changes That Accompany The Reduced Catalytic Efficiency Of Two Semisynthetic Ribonuclease Analogs" . . . . . 91.13 113 100.00 100.00 5.90e-76 . . . . 17099 1 245 no PDB 4YGW . "Rnase S In Complex With Stabilized S Peptide" . . . . . 83.06 103 100.00 100.00 1.10e-69 . . . . 17099 1 246 no PDB 5RAT . "Effects Of Temperature On Protein Structure And Dynamics: X- Ray Crystallographic Studies Of The Protein Ribonuclease-A At Nine" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 247 no PDB 5RSA . "Comparison Of Two Independently Refined Models Of Ribonuclease-A" . . . . . 99.19 124 100.00 100.00 1.01e-84 . . . . 17099 1 248 no PDB 6RAT . "Effects Of Temperature On Protein Structure And Dynamics: X-Ray Crystallographic Studies Of The Protein Ribonuclease-A At Nine " . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 249 no PDB 6RSA . "Nuclear Magnetic Resonance And Neutron Diffraction Studies Of The Complex Of RibonucleaseA With Uridine Vanadate, A Transition-" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 250 no PDB 7RAT . "Effects Of Temperature On Protein Structure And Dynamics: X- Ray Crystallographic Studies Of The Protein Ribonuclease-A At Nine" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 251 no PDB 7RSA . "Structure Of Phosphate-Free Ribonuclease A Refined At 1.26 Angstroms" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 252 no PDB 8RAT . "Effects Of Temperature On Protein Structure And Dynamics: X- Ray Crystallographic Studies Of The Protein Ribonuclease-A At Nine" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 253 no PDB 8RSA . "Crystal Structure Of Two Covalent Nucleoside Derivatives Of Ribonuclease A" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 254 no PDB 9RAT . "Effects Of Temperature On Protein Structure And Dynamics: X-Ray Crystallographic Studies Of The Protein Ribonuclease-A At Nine " . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 255 no PDB 9RSA . "Crystal Structure Of Two Covalent Nucleoside Derivatives Of Ribonuclease A" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 256 no EMBL CAA30263 . "ribonuclease [Bos taurus]" . . . . . 100.00 150 100.00 100.00 1.75e-86 . . . . 17099 1 257 no EMBL CAA33801 . "unnamed protein product [Bos taurus]" . . . . . 100.00 125 100.00 100.00 1.67e-85 . . . . 17099 1 258 no EMBL CAB37066 . "artificial [synthetic construct]" . . . . . 100.00 128 100.00 100.00 1.77e-85 . . . . 17099 1 259 no GB AAA72269 . "ribonuclease S [synthetic construct]" . . . . . 83.87 105 100.00 100.00 2.86e-70 . . . . 17099 1 260 no GB AAA72757 . "RNase A [synthetic construct]" . . . . . 100.00 156 100.00 100.00 3.05e-86 . . . . 17099 1 261 no GB AAB35594 . "ribonuclease A, partial [Bos taurus]" . . . . . 100.00 128 100.00 100.00 1.65e-85 . . . . 17099 1 262 no GB AAB36134 . "pancreatic-type ribonuclease, partial [Bos taurus]" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 263 no GB AAI49530 . "RNASE1 protein [Bos taurus]" . . . . . 100.00 150 100.00 100.00 1.75e-86 . . . . 17099 1 264 no PIR JC5560 . "pancreatic ribonuclease (EC 3.1.27.5) A - Aspergillus niger var. macrosporus" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 265 no PIR NRBOB . "pancreatic ribonuclease (EC 3.1.27.5) - American bison (tentative sequence)" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 266 no PRF 630436A . RNase . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 267 no REF NP_001014408 . "ribonuclease pancreatic precursor [Bos taurus]" . . . . . 100.00 150 100.00 100.00 1.75e-86 . . . . 17099 1 268 no REF XP_005211519 . "PREDICTED: ribonuclease pancreatic isoform X1 [Bos taurus]" . . . . . 100.00 150 100.00 100.00 1.75e-86 . . . . 17099 1 269 no REF XP_005901936 . "PREDICTED: ribonuclease pancreatic [Bos mutus]" . . . . . 100.00 150 99.19 100.00 6.00e-86 . . . . 17099 1 270 no REF XP_010837737 . "PREDICTED: ribonuclease pancreatic [Bison bison bison]" . . . . . 100.00 150 100.00 100.00 1.75e-86 . . . . 17099 1 271 no SP P61823 . "RecName: Full=Ribonuclease pancreatic; AltName: Full=RNase 1; AltName: Full=RNase A; Flags: Precursor" . . . . . 100.00 150 100.00 100.00 1.75e-86 . . . . 17099 1 272 no SP P61824 . "RecName: Full=Ribonuclease pancreatic; AltName: Full=RNase 1; AltName: Full=RNase A" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 17099 1 273 no TPE CDG32088 . "TPA: ribonuclease A C2 [Bos taurus]" . . . . . 100.00 215 100.00 100.00 2.18e-86 . . . . 17099 1 274 no TPG DAA25470 . "TPA: ribonuclease pancreatic precursor [Bos taurus]" . . . . . 100.00 150 100.00 100.00 1.75e-86 . . . . 17099 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . LYS . 17099 1 2 . GLU . 17099 1 3 . THR . 17099 1 4 . ALA . 17099 1 5 . ALA . 17099 1 6 . ALA . 17099 1 7 . LYS . 17099 1 8 . PHE . 17099 1 9 . GLU . 17099 1 10 . ARG . 17099 1 11 . GLN . 17099 1 12 . HIS . 17099 1 13 . MET . 17099 1 14 . ASP . 17099 1 15 . SER . 17099 1 16 . SER . 17099 1 17 . THR . 17099 1 18 . SER . 17099 1 19 . ALA . 17099 1 20 . ALA . 17099 1 21 . SER . 17099 1 22 . SER . 17099 1 23 . SER . 17099 1 24 . ASN . 17099 1 25 . TYR . 17099 1 26 . CYS . 17099 1 27 . ASN . 17099 1 28 . GLN . 17099 1 29 . MET . 17099 1 30 . MET . 17099 1 31 . LYS . 17099 1 32 . SER . 17099 1 33 . ARG . 17099 1 34 . ASN . 17099 1 35 . LEU . 17099 1 36 . THR . 17099 1 37 . LYS . 17099 1 38 . ASP . 17099 1 39 . ARG . 17099 1 40 . CYS . 17099 1 41 . LYS . 17099 1 42 . PRO . 17099 1 43 . VAL . 17099 1 44 . ASN . 17099 1 45 . THR . 17099 1 46 . PHE . 17099 1 47 . VAL . 17099 1 48 . HIS . 17099 1 49 . GLU . 17099 1 50 . SER . 17099 1 51 . LEU . 17099 1 52 . ALA . 17099 1 53 . ASP . 17099 1 54 . VAL . 17099 1 55 . GLN . 17099 1 56 . ALA . 17099 1 57 . VAL . 17099 1 58 . CYS . 17099 1 59 . SER . 17099 1 60 . GLN . 17099 1 61 . LYS . 17099 1 62 . ASN . 17099 1 63 . VAL . 17099 1 64 . ALA . 17099 1 65 . CYS . 17099 1 66 . LYS . 17099 1 67 . ASN . 17099 1 68 . GLY . 17099 1 69 . GLN . 17099 1 70 . THR . 17099 1 71 . ASN . 17099 1 72 . CYS . 17099 1 73 . TYR . 17099 1 74 . GLN . 17099 1 75 . SER . 17099 1 76 . TYR . 17099 1 77 . SER . 17099 1 78 . THR . 17099 1 79 . MET . 17099 1 80 . SER . 17099 1 81 . ILE . 17099 1 82 . THR . 17099 1 83 . ASP . 17099 1 84 . CYS . 17099 1 85 . ARG . 17099 1 86 . GLU . 17099 1 87 . THR . 17099 1 88 . GLY . 17099 1 89 . SER . 17099 1 90 . SER . 17099 1 91 . LYS . 17099 1 92 . TYR . 17099 1 93 . PRO . 17099 1 94 . ASN . 17099 1 95 . CYS . 17099 1 96 . ALA . 17099 1 97 . TYR . 17099 1 98 . LYS . 17099 1 99 . THR . 17099 1 100 . THR . 17099 1 101 . GLN . 17099 1 102 . ALA . 17099 1 103 . ASN . 17099 1 104 . LYS . 17099 1 105 . HIS . 17099 1 106 . ILE . 17099 1 107 . ILE . 17099 1 108 . VAL . 17099 1 109 . ALA . 17099 1 110 . CYS . 17099 1 111 . GLU . 17099 1 112 . GLY . 17099 1 113 . ASN . 17099 1 114 . PRO . 17099 1 115 . TYR . 17099 1 116 . VAL . 17099 1 117 . PRO . 17099 1 118 . VAL . 17099 1 119 . HIS . 17099 1 120 . PHE . 17099 1 121 . ASP . 17099 1 122 . ALA . 17099 1 123 . SER . 17099 1 124 . VAL . 17099 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . LYS 1 1 17099 1 . GLU 2 2 17099 1 . THR 3 3 17099 1 . ALA 4 4 17099 1 . ALA 5 5 17099 1 . ALA 6 6 17099 1 . LYS 7 7 17099 1 . PHE 8 8 17099 1 . GLU 9 9 17099 1 . ARG 10 10 17099 1 . GLN 11 11 17099 1 . HIS 12 12 17099 1 . MET 13 13 17099 1 . ASP 14 14 17099 1 . SER 15 15 17099 1 . SER 16 16 17099 1 . THR 17 17 17099 1 . SER 18 18 17099 1 . ALA 19 19 17099 1 . ALA 20 20 17099 1 . SER 21 21 17099 1 . SER 22 22 17099 1 . SER 23 23 17099 1 . ASN 24 24 17099 1 . TYR 25 25 17099 1 . CYS 26 26 17099 1 . ASN 27 27 17099 1 . GLN 28 28 17099 1 . MET 29 29 17099 1 . MET 30 30 17099 1 . LYS 31 31 17099 1 . SER 32 32 17099 1 . ARG 33 33 17099 1 . ASN 34 34 17099 1 . LEU 35 35 17099 1 . THR 36 36 17099 1 . LYS 37 37 17099 1 . ASP 38 38 17099 1 . ARG 39 39 17099 1 . CYS 40 40 17099 1 . LYS 41 41 17099 1 . PRO 42 42 17099 1 . VAL 43 43 17099 1 . ASN 44 44 17099 1 . THR 45 45 17099 1 . PHE 46 46 17099 1 . VAL 47 47 17099 1 . HIS 48 48 17099 1 . GLU 49 49 17099 1 . SER 50 50 17099 1 . LEU 51 51 17099 1 . ALA 52 52 17099 1 . ASP 53 53 17099 1 . VAL 54 54 17099 1 . GLN 55 55 17099 1 . ALA 56 56 17099 1 . VAL 57 57 17099 1 . CYS 58 58 17099 1 . SER 59 59 17099 1 . GLN 60 60 17099 1 . LYS 61 61 17099 1 . ASN 62 62 17099 1 . VAL 63 63 17099 1 . ALA 64 64 17099 1 . CYS 65 65 17099 1 . LYS 66 66 17099 1 . ASN 67 67 17099 1 . GLY 68 68 17099 1 . GLN 69 69 17099 1 . THR 70 70 17099 1 . ASN 71 71 17099 1 . CYS 72 72 17099 1 . TYR 73 73 17099 1 . GLN 74 74 17099 1 . SER 75 75 17099 1 . TYR 76 76 17099 1 . SER 77 77 17099 1 . THR 78 78 17099 1 . MET 79 79 17099 1 . SER 80 80 17099 1 . ILE 81 81 17099 1 . THR 82 82 17099 1 . ASP 83 83 17099 1 . CYS 84 84 17099 1 . ARG 85 85 17099 1 . GLU 86 86 17099 1 . THR 87 87 17099 1 . GLY 88 88 17099 1 . SER 89 89 17099 1 . SER 90 90 17099 1 . LYS 91 91 17099 1 . TYR 92 92 17099 1 . PRO 93 93 17099 1 . ASN 94 94 17099 1 . CYS 95 95 17099 1 . ALA 96 96 17099 1 . TYR 97 97 17099 1 . LYS 98 98 17099 1 . THR 99 99 17099 1 . THR 100 100 17099 1 . GLN 101 101 17099 1 . ALA 102 102 17099 1 . ASN 103 103 17099 1 . LYS 104 104 17099 1 . HIS 105 105 17099 1 . ILE 106 106 17099 1 . ILE 107 107 17099 1 . VAL 108 108 17099 1 . ALA 109 109 17099 1 . CYS 110 110 17099 1 . GLU 111 111 17099 1 . GLY 112 112 17099 1 . ASN 113 113 17099 1 . PRO 114 114 17099 1 . TYR 115 115 17099 1 . VAL 116 116 17099 1 . PRO 117 117 17099 1 . VAL 118 118 17099 1 . HIS 119 119 17099 1 . PHE 120 120 17099 1 . ASP 121 121 17099 1 . ALA 122 122 17099 1 . SER 123 123 17099 1 . VAL 124 124 17099 1 stop_ save_ save_entity_EDT _Entity.Sf_category entity _Entity.Sf_framecode entity_EDT _Entity.Entry_ID 17099 _Entity.ID 2 _Entity.BMRB_code EDT _Entity.Name '{[-(BIS-CARBOXYMETHYL-AMINO)-ETHYL]-CARBOXYMETHYL-AMINO}-ACETIC ACID' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID EDT _Entity.Nonpolymer_comp_label $chem_comp_EDT _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 292.243 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID '{[-(BIS-CARBOXYMETHYL-AMINO)-ETHYL]-CARBOXYMETHYL-AMINO}-ACETIC ACID' BMRB 17099 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID '{[-(BIS-CARBOXYMETHYL-AMINO)-ETHYL]-CARBOXYMETHYL-AMINO}-ACETIC ACID' BMRB 17099 2 EDT 'Three letter code' 17099 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 EDT $chem_comp_EDT 17099 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 EDT C1 17099 2 2 1 EDT C10 17099 2 3 1 EDT C11 17099 2 4 1 EDT C12 17099 2 5 1 EDT C2 17099 2 6 1 EDT C4 17099 2 7 1 EDT C5 17099 2 8 1 EDT C6 17099 2 9 1 EDT C7 17099 2 10 1 EDT C9 17099 2 11 1 EDT H021 17099 2 12 1 EDT H022 17099 2 13 1 EDT H041 17099 2 14 1 EDT H042 17099 2 15 1 EDT H061 17099 2 16 1 EDT H062 17099 2 17 1 EDT H071 17099 2 18 1 EDT H072 17099 2 19 1 EDT H091 17099 2 20 1 EDT H092 17099 2 21 1 EDT H111 17099 2 22 1 EDT H112 17099 2 23 1 EDT H14 17099 2 24 1 EDT H16 17099 2 25 1 EDT H17 17099 2 26 1 EDT H20 17099 2 27 1 EDT N3 17099 2 28 1 EDT N8 17099 2 29 1 EDT O13 17099 2 30 1 EDT O14 17099 2 31 1 EDT O15 17099 2 32 1 EDT O16 17099 2 33 1 EDT O17 17099 2 34 1 EDT O18 17099 2 35 1 EDT O19 17099 2 36 1 EDT O20 17099 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17099 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $ribonuclease . 9913 organism . 'Bos taurus' Cattle . . Eukaryota Metaoza Bos taurus . . . . . . . . . . . . . . . . . . . . . 17099 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 17099 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $ribonuclease . 'purified from the natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17099 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_EDT _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_EDT _Chem_comp.Entry_ID 17099 _Chem_comp.ID EDT _Chem_comp.Provenance PDB _Chem_comp.Name '{[-(BIS-CARBOXYMETHYL-AMINO)-ETHYL]-CARBOXYMETHYL-AMINO}-ACETIC ACID' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code EDT _Chem_comp.PDB_code EDT _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code EDT _Chem_comp.Number_atoms_all 36 _Chem_comp.Number_atoms_nh 20 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20) _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C10 H16 N2 O8' _Chem_comp.Formula_weight 292.243 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1NNF _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O SMILES 'OpenEye OEToolkits' 1.5.0 17099 EDT C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17099 EDT InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20) InChI InChI 1.03 17099 EDT KCXVZYZYPLLWCC-UHFFFAOYSA-N InChIKey InChI 1.03 17099 EDT OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O SMILES CACTVS 3.341 17099 EDT OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O SMILES_CANONICAL CACTVS 3.341 17099 EDT O=C(O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O SMILES ACDLabs 10.04 17099 EDT stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetic acid' 'SYSTEMATIC NAME' ACDLabs 10.04 17099 EDT '2-[2-(bis(carboxymethyl)amino)ethyl-(carboxymethyl)amino]ethanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17099 EDT stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID O20 O20 O20 O20 . O . . N 0 . . . 1 no no . . . . 22.579 . 26.625 . 14.577 . 1.901 -2.478 3.856 1 . 17099 EDT C5 C5 C5 C5 . C . . N 0 . . . 1 no no . . . . 23.291 . 25.637 . 14.504 . 1.284 -1.369 3.417 2 . 17099 EDT O19 O19 O19 O19 . O . . N 0 . . . 1 no no . . . . 23.944 . 25.361 . 13.254 . 1.227 -0.390 4.123 3 . 17099 EDT C4 C4 C4 C4 . C . . N 0 . . . 1 no no . . . . 23.351 . 24.716 . 15.699 . 0.663 -1.346 2.044 4 . 17099 EDT N3 N3 N3 N3 . N . . N 0 . . . 1 no no . . . . 24.228 . 23.617 . 15.308 . 0.056 -0.030 1.804 5 . 17099 EDT C2 C2 C2 C2 . C . . N 0 . . . 1 no no . . . . 25.608 . 23.639 . 15.779 . -1.063 0.096 2.745 6 . 17099 EDT C1 C1 C1 C1 . C . . N 0 . . . 1 no no . . . . 25.530 . 22.983 . 17.141 . -1.470 1.543 2.851 7 . 17099 EDT O18 O18 O18 O18 . O . . N 0 . . . 1 no no . . . . 26.595 . 22.488 . 17.754 . -0.864 2.387 2.235 8 . 17099 EDT O17 O17 O17 O17 . O . . N 0 . . . 1 no no . . . . 24.459 . 22.890 . 17.717 . -2.506 1.894 3.629 9 . 17099 EDT C6 C6 C6 C6 . C . . N 0 . . . 1 no no . . . . 23.620 . 22.579 . 14.482 . -0.527 -0.074 0.456 10 . 17099 EDT C7 C7 C7 C7 . C . . N 0 . . . 1 no no . . . . 24.584 . 21.818 . 13.579 . 0.592 -0.170 -0.581 11 . 17099 EDT N8 N8 N8 N8 . N . . N 0 . . . 1 no no . . . . 24.726 . 22.386 . 12.242 . 0.019 -0.071 -1.930 12 . 17099 EDT C9 C9 C9 C9 . C . . N 0 . . . 1 no no . . . . 23.625 . 23.004 . 11.513 . 1.141 -0.171 -2.873 13 . 17099 EDT C10 C10 C10 C10 . C . . N 0 . . . 1 no no . . . . 22.890 . 21.781 . 10.991 . 1.892 1.135 -2.900 14 . 17099 EDT O16 O16 O16 O16 . O . . N 0 . . . 1 no no . . . . 21.644 . 21.943 . 10.592 . 2.907 1.308 -3.761 15 . 17099 EDT O15 O15 O15 O15 . O . . N 0 . . . 1 no no . . . . 23.377 . 20.665 . 10.904 . 1.580 2.026 -2.146 16 . 17099 EDT C11 C11 C11 C11 . C . . N 0 . . . 1 no no . . . . 25.895 . 21.969 . 11.472 . -0.805 -1.271 -2.127 17 . 17099 EDT C12 C12 C12 C12 . C . . N 0 . . . 1 no no . . . . 27.230 . 22.294 . 12.063 . -1.725 -1.060 -3.302 18 . 17099 EDT O13 O13 O13 O13 . O . . N 0 . . . 1 no no . . . . 28.217 . 21.708 . 11.709 . -1.697 -0.018 -3.912 19 . 17099 EDT O14 O14 O14 O14 . O . . N 0 . . . 1 no no . . . . 27.353 . 23.356 . 12.999 . -2.575 -2.031 -3.671 20 . 17099 EDT H20 H20 H20 H20 . H . . N 0 . . . 1 no no . . . . 22.147 . 26.807 . 15.403 . 2.300 -2.493 4.737 21 . 17099 EDT H041 H041 H041 1H04 . H . . N 0 . . . 0 no no . . . . 23.665 . 25.225 . 16.639 . 1.432 -1.533 1.294 22 . 17099 EDT H042 H042 H042 2H04 . H . . N 0 . . . 0 no no . . . . 22.349 . 24.382 . 16.056 . -0.103 -2.117 1.979 23 . 17099 EDT H021 H021 H021 1H02 . H . . N 0 . . . 0 no no . . . . 26.340 . 23.169 . 15.082 . -1.907 -0.493 2.387 24 . 17099 EDT H022 H022 H022 2H02 . H . . N 0 . . . 0 no no . . . . 26.078 . 24.649 . 15.780 . -0.756 -0.267 3.726 25 . 17099 EDT H17 H17 H17 H17 . H . . N 0 . . . 1 no no . . . . 24.410 . 22.478 . 18.571 . -2.767 2.822 3.696 26 . 17099 EDT H061 H061 H061 1H06 . H . . N 0 . . . 0 no no . . . . 23.049 . 21.865 . 15.121 . -1.177 -0.944 0.371 27 . 17099 EDT H062 H062 H062 2H06 . H . . N 0 . . . 0 no no . . . . 22.787 . 23.009 . 13.877 . -1.107 0.831 0.282 28 . 17099 EDT H071 H071 H071 1H07 . H . . N 0 . . . 0 no no . . . . 25.580 . 21.718 . 14.068 . 1.302 0.642 -0.427 29 . 17099 EDT H072 H072 H072 2H07 . H . . N 0 . . . 0 no no . . . . 24.294 . 20.743 . 13.517 . 1.106 -1.126 -0.473 30 . 17099 EDT H091 H091 H091 1H09 . H . . N 0 . . . 0 no no . . . . 23.004 . 23.718 . 12.102 . 1.812 -0.969 -2.557 31 . 17099 EDT H092 H092 H092 2H09 . H . . N 0 . . . 0 no no . . . . 23.923 . 23.747 . 10.738 . 0.759 -0.391 -3.870 32 . 17099 EDT H16 H16 H16 H16 . H . . N 0 . . . 1 no no . . . . 21.184 . 21.178 . 10.265 . 3.389 2.146 -3.778 33 . 17099 EDT H111 H111 H111 1H11 . H . . N 0 . . . 0 no no . . . . 25.834 . 20.876 . 11.258 . -0.159 -2.128 -2.320 34 . 17099 EDT H112 H112 H112 2H11 . H . . N 0 . . . 0 no no . . . . 25.831 . 22.381 . 10.438 . -1.397 -1.456 -1.231 35 . 17099 EDT H14 H14 H14 H14 . H . . N 0 . . . 1 no no . . . . 28.200 . 23.562 . 13.374 . -3.165 -1.896 -4.425 36 . 17099 EDT stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING O20 C5 no N 1 . 17099 EDT 2 . SING O20 H20 no N 2 . 17099 EDT 3 . DOUB C5 O19 no N 3 . 17099 EDT 4 . SING C5 C4 no N 4 . 17099 EDT 5 . SING C4 N3 no N 5 . 17099 EDT 6 . SING C4 H041 no N 6 . 17099 EDT 7 . SING C4 H042 no N 7 . 17099 EDT 8 . SING N3 C2 no N 8 . 17099 EDT 9 . SING N3 C6 no N 9 . 17099 EDT 10 . SING C2 C1 no N 10 . 17099 EDT 11 . SING C2 H021 no N 11 . 17099 EDT 12 . SING C2 H022 no N 12 . 17099 EDT 13 . DOUB C1 O18 no N 13 . 17099 EDT 14 . SING C1 O17 no N 14 . 17099 EDT 15 . SING O17 H17 no N 15 . 17099 EDT 16 . SING C6 C7 no N 16 . 17099 EDT 17 . SING C6 H061 no N 17 . 17099 EDT 18 . SING C6 H062 no N 18 . 17099 EDT 19 . SING C7 N8 no N 19 . 17099 EDT 20 . SING C7 H071 no N 20 . 17099 EDT 21 . SING C7 H072 no N 21 . 17099 EDT 22 . SING N8 C9 no N 22 . 17099 EDT 23 . SING N8 C11 no N 23 . 17099 EDT 24 . SING C9 C10 no N 24 . 17099 EDT 25 . SING C9 H091 no N 25 . 17099 EDT 26 . SING C9 H092 no N 26 . 17099 EDT 27 . SING C10 O16 no N 27 . 17099 EDT 28 . DOUB C10 O15 no N 28 . 17099 EDT 29 . SING O16 H16 no N 29 . 17099 EDT 30 . SING C11 C12 no N 30 . 17099 EDT 31 . SING C11 H111 no N 31 . 17099 EDT 32 . SING C11 H112 no N 32 . 17099 EDT 33 . DOUB C12 O13 no N 33 . 17099 EDT 34 . SING C12 O14 no N 34 . 17099 EDT 35 . SING O14 H14 no N 35 . 17099 EDT stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17099 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'deuteroacetate buffer' 'natural abundance' . . . . . . 0.2 . . M . . . . 17099 1 2 ribonuclease 'natural abundance' . . 1 $ribonuclease . . 2.0 . . mM . . . . 17099 1 3 EDTA 'natural abundance' . . 2 $entity_EDT . . . 0 63.4 mM . . . . 17099 1 4 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17099 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17099 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'deuterocetate buffer' 'natural abundance' . . . . . . 0.2 . . M . . . . 17099 2 2 ribonuclease 'natural abundance' . . 1 $ribonuclease . . 2.0 . . mM . . . . 17099 2 3 EDTA 'natural abundance' . . 2 $entity_EDT . . 63.4 . . mM . . . . 17099 2 4 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17099 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17099 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.5 . pH 17099 1 pressure 1 . atm 17099 1 temperature 307 274 K 17099 1 stop_ save_ ############################ # Computer software used # ############################ save_none_given _Software.Sf_category software _Software.Sf_framecode none_given _Software.Entry_ID 17099 _Software.ID 1 _Software.Name none_given _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID na . . 17099 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID na 17099 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17099 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model WH270 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 270 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17099 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker WH270 . 270 . . . 17099 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 17099 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1H NMR' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17099 1 2 '1H NMR' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17099 1 stop_ save_ ####################### # pH titration data # ####################### save_pH_titration _PH_titration_list.Sf_category pH_titration _PH_titration_list.Sf_framecode pH_titration _PH_titration_list.Entry_ID 17099 _PH_titration_list.ID 1 _PH_titration_list.Sample_condition_list_ID 1 _PH_titration_list.Sample_condition_list_label $sample_conditions_1 _PH_titration_list.Expt_observed_param 'chemical shifts' _PH_titration_list.Details . _PH_titration_list.Text_data_format . _PH_titration_list.Text_data . loop_ _PH_titration_experiment.Experiment_ID _PH_titration_experiment.Experiment_name _PH_titration_experiment.Sample_ID _PH_titration_experiment.Sample_label _PH_titration_experiment.Sample_state _PH_titration_experiment.Entry_ID _PH_titration_experiment.PH_titration_list_ID 2 '1H NMR' 2 $sample_2 isotropic 17099 1 stop_ loop_ _PH_titr_result.ID _PH_titr_result.Atm_obs_assembly_atom_ID _PH_titr_result.Atm_obs_entity_assembly_ID _PH_titr_result.Atm_obs_entity_ID _PH_titr_result.Atm_obs_comp_index_ID _PH_titr_result.Atm_obs_seq_ID _PH_titr_result.Atm_obs_comp_ID _PH_titr_result.Atm_obs_atom_ID _PH_titr_result.Atm_obs_atom_type _PH_titr_result.Atm_obs_atom_isotope_number _PH_titr_result.Atm_obs_auth_entity_assembly_ID _PH_titr_result.Atm_obs_auth_seq_ID _PH_titr_result.Atm_obs_auth_comp_ID _PH_titr_result.Atm_obs_auth_atom_ID _PH_titr_result.Atm_titr_assembly_atom_ID _PH_titr_result.Atm_titr_entity_assembly_ID _PH_titr_result.Atm_titr_entity_ID _PH_titr_result.Atm_titr_comp_index_ID _PH_titr_result.Atm_titr_seq_ID _PH_titr_result.Atm_titr_comp_ID _PH_titr_result.Atm_titr_atom_ID _PH_titr_result.Atm_titr_atom_type _PH_titr_result.Atm_titr_atom_isotope_number _PH_titr_result.Atm_titr_auth_entity_assembly_ID _PH_titr_result.Atm_titr_auth_seq_ID _PH_titr_result.Atm_titr_auth_comp_ID _PH_titr_result.Atm_titr_auth_atom_ID _PH_titr_result.Hill_coeff_val _PH_titr_result.Hill_coeff_val_fit_err _PH_titr_result.High_PH_param_fit_val _PH_titr_result.High_PH_param_fit_val_err _PH_titr_result.Low_PH_param_fit_val _PH_titr_result.Low_PH_param_fit_val_err _PH_titr_result.PKa_val _PH_titr_result.PKa_val_fit_err _PH_titr_result.PHmid_val _PH_titr_result.PHmid_val_fit_err _PH_titr_result.Entry_ID _PH_titr_result.PH_titration_list_ID 1 . 1 1 . 105 HIS H H 1 . . . . . . . . . . . . . . . . . 0.96 0.02 . . . . 6.69 0.01 . . 17099 1 2 . 1 1 . 119 HIS H H 1 . . . . . . . . . . . . . . . . . 0.69 0.03 . . . . 6.08 0.03 . . 17099 1 3 . 1 1 . 12 HIS H H 1 . . . . . . . . . . . . . . . . . 0.96 0.05 . . . . 6.73 0.02 . . 17099 1 4 . 1 1 . 48 HIS H H 1 . . . . . . . . . . . . . . . . . 1.02 0.10 . . . . 6.23 0.05 . . 17099 1 stop_ save_ save_binding_data _Binding_value_list.Sf_category binding_data _Binding_value_list.Sf_framecode binding_data _Binding_value_list.Entry_ID 17099 _Binding_value_list.ID 1 _Binding_value_list.Sample_condition_list_ID 1 _Binding_value_list.Sample_condition_list_label $sample_conditions_1 _Binding_value_list.Details . _Binding_value_list.Text_data_format . _Binding_value_list.Text_data . loop_ _Binding_experiment.Experiment_ID _Binding_experiment.Experiment_name _Binding_experiment.Sample_ID _Binding_experiment.Sample_label _Binding_experiment.Sample_state _Binding_experiment.Entry_ID _Binding_experiment.Binding_value_list_ID 1 '1H NMR' 1 $sample_1 isotropic 17099 1 stop_ loop_ _Binding_result.ID _Binding_result.Experiment_ID _Binding_result.Assembly_ID _Binding_result.Atm_obs_assembly_atom_ID _Binding_result.Atm_obs_entity_assembly_ID _Binding_result.Atm_obs_entity_ID _Binding_result.Atm_obs_comp_index_ID _Binding_result.Atm_obs_seq_ID _Binding_result.Atm_obs_comp_ID _Binding_result.Atm_obs_atom_ID _Binding_result.Atm_obs_atom_type _Binding_result.Atm_obs_atom_isotope_number _Binding_result.Resonance_ID _Binding_result.Atm_obs_auth_entity_assembly_ID _Binding_result.Atm_obs_auth_seq_ID _Binding_result.Atm_obs_auth_comp_ID _Binding_result.Atm_obs_auth_atom_ID _Binding_result.Expt_observed_param _Binding_result.Val_type _Binding_result.Val _Binding_result.Val_err _Binding_result.Val_units _Binding_result.Entry_ID _Binding_result.Binding_value_list_ID 1 . 1 . 1 1 . . . . . . . . . . . 'chemical shifts' Kd 1.70 . mM 17099 1 stop_ loop_ _Binding_partners.Binding_result_ID _Binding_partners.Assembly_ID _Binding_partners.Entity_assembly_ID _Binding_partners.Entity_assembly_name _Binding_partners.Entity_ID _Binding_partners.Entity_label _Binding_partners.Entry_ID _Binding_partners.Binding_value_list_ID 1 1 1 ribonuclease 1 $ribonuclease 17099 1 1 1 2 EDTA 2 $entity_EDT 17099 1 stop_ save_