data_16758 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The effect of protein concentration on ion binding ; _BMRB_accession_number 16758 _BMRB_flat_file_name bmr16758.str _Entry_type original _Submission_date 2010-03-03 _Accession_date 2010-03-03 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Linse Sara . . 2 Jonsson Bo . . 3 Chazin Walter J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count binding_constants 1 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-03-24 original author . stop_ _Original_release_date 2010-03-24 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The effect of protein concentration on ion binding' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 7761395 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Linse Sara . . 2 Jonsson Bo . . 3 Chazin Walter J. . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_volume 92 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4748 _Page_last 4752 _Year 1995 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'calbindin/CA complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label calbindin $calbindin CA $CA stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_calbindin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common calbindin _Molecular_mass . _Mol_thiol_state 'not reported' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 75 _Mol_residue_sequence ; KSPEELKGIFEKYAAKEGDP NQLSKEELKLLLQTEFPSLL KGPSTLDELFEELDKAGDGE VSFEEFQVLVKKISQ ; loop_ _Residue_seq_code _Residue_label 1 LYS 2 SER 3 PRO 4 GLU 5 GLU 6 LEU 7 LYS 8 GLY 9 ILE 10 PHE 11 GLU 12 LYS 13 TYR 14 ALA 15 ALA 16 LYS 17 GLU 18 GLY 19 ASP 20 PRO 21 ASN 22 GLN 23 LEU 24 SER 25 LYS 26 GLU 27 GLU 28 LEU 29 LYS 30 LEU 31 LEU 32 LEU 33 GLN 34 THR 35 GLU 36 PHE 37 PRO 38 SER 39 LEU 40 LEU 41 LYS 42 GLY 43 PRO 44 SER 45 THR 46 LEU 47 ASP 48 GLU 49 LEU 50 PHE 51 GLU 52 GLU 53 LEU 54 ASP 55 LYS 56 ALA 57 GLY 58 ASP 59 GLY 60 GLU 61 VAL 62 SER 63 PHE 64 GLU 65 GLU 66 PHE 67 GLN 68 VAL 69 LEU 70 VAL 71 LYS 72 LYS 73 ILE 74 SER 75 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-05 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 15594 calbindin_in_presence_of_Yb3+ 100.00 75 97.33 97.33 1.12e-39 BMRB 16340 Calbindin_D9K 100.00 76 97.33 97.33 1.20e-39 BMRB 247 calbindin 100.00 76 98.67 98.67 5.52e-41 BMRB 325 calbindin 100.00 76 98.67 98.67 5.52e-41 BMRB 326 calbindin 100.00 76 97.33 97.33 1.20e-39 BMRB 327 calbindin 100.00 76 97.33 97.33 1.20e-39 BMRB 4581 "CALBINDIN D9K" 100.00 75 98.67 98.67 1.53e-40 PDB 1B1G "Solvated Refinement Of Ca-Loaded Calbindin D9k" 100.00 75 97.33 97.33 1.40e-39 PDB 1CDN "Solution Structure Of (Cd2+)1-Calbindin D9k Reveals Details Of The Stepwise Structural Changes Along The Apo--> (Ca2+) Ii1--> (" 100.00 76 97.33 97.33 1.20e-39 PDB 1CLB "Determination Of The Solution Structure Of Apo Calbindin D9k By Nmr Spectroscopy" 100.00 76 97.33 97.33 1.20e-39 PDB 1D1O "Cooperativity In Ef-Hand Ca2+-Binding Proteins: Evidence Of Site-Site Communication From Binding-Induced Changes In Structure A" 100.00 75 98.67 98.67 1.53e-40 PDB 1IG5 "Bovine Calbindin D9k Binding Mg2+" 100.00 75 98.67 98.67 7.21e-41 PDB 1IGV "Bovine Calbindin D9k Binding Mn2+" 100.00 75 98.67 98.67 7.21e-41 PDB 1KQV "Family Of Nmr Solution Structures Of Ca Ln Calbindin D9k" 100.00 79 97.33 97.33 6.76e-40 PDB 1KSM "Average Nmr Solution Structure Of Ca Ln Calbindin D9k" 100.00 79 97.33 97.33 6.76e-40 PDB 1N65 "Family Of Nmr Solution Structures Of Ca Ce Calbindin D9k In Denaturating Conditions" 100.00 75 97.33 97.33 1.12e-39 PDB 2BCA "High-Resolution Solution Structure Of Calcium-Loaded Calbindin D9k" 100.00 76 97.33 97.33 1.20e-39 PDB 2BCB "High-Resolution Solution Structure Of Calcium-Loaded Calbindin D9k" 100.00 75 97.33 97.33 1.40e-39 PDB 2MAZ "Backbone 1h, 13c, And 15n Chemical Shift Assignments For Bovine Apo Calbindin" 100.00 75 97.33 97.33 1.12e-39 PDB 3ICB "The Refined Structure Of Vitamin D-Dependent Calcium- Binding Protein From Bovine Intestine. Molecular Details, Ion Binding, An" 100.00 75 98.67 98.67 7.21e-41 PDB 4ICB "Proline Cis-trans Isomers In Calbindin D9k Observed By X-ray Crystallography" 100.00 76 98.67 98.67 5.52e-41 GB AAA30420 "calcium-binding protein [Bos taurus]" 100.00 79 98.67 98.67 4.93e-41 GB AAA72542 "intestinal calcium binding protein (ICaBP), minor A form [synthetic construct]" 100.00 76 98.67 98.67 5.52e-41 GB AAI18481 "S100 calcium binding protein G [Bos taurus]" 100.00 79 98.67 98.67 4.93e-41 GB ADO85633 "calbindin D9K [Ovis aries]" 53.33 40 97.50 97.50 1.87e-08 PRF 0707237A:PDB=3ICB "protein,Ca binding" 100.00 75 98.67 98.67 7.21e-41 REF NP_776682 "protein S100-G [Bos taurus]" 100.00 79 98.67 98.67 4.93e-41 REF XP_004021986 "PREDICTED: protein S100-G [Ovis aries]" 100.00 79 98.67 98.67 4.93e-41 REF XP_005701114 "PREDICTED: protein S100-G [Capra hircus]" 100.00 79 98.67 98.67 4.93e-41 REF XP_005888771 "PREDICTED: protein S100-G [Bos mutus]" 100.00 79 98.67 98.67 4.93e-41 REF XP_005982038 "PREDICTED: protein S100-G [Pantholops hodgsonii]" 100.00 79 98.67 98.67 4.93e-41 SP P02633 "RecName: Full=Protein S100-G; AltName: Full=Calbindin-D9k; AltName: Full=S100 calcium-binding protein G; AltName: Full=Vitamin " 100.00 79 98.67 98.67 4.93e-41 TPG DAA12577 "TPA: protein S100-G [Bos taurus]" 100.00 79 98.67 98.67 4.93e-41 stop_ save_ ############# # Ligands # ############# save_CA _Saveframe_category ligand _Mol_type non-polymer _Name_common "CA (CALCIUM ION)" _BMRB_code . _PDB_code CA _Molecular_mass 40.078 _Mol_charge 2 _Mol_paramagnetic no _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 13:21:54 2009 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CA CA CA . 2 . ? stop_ _Mol_thiol_state 'not present' _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $calbindin cattle 9913 Eukaryota Metazoa Bos taurus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $calbindin 'recombinant technology' . Escherichia coli . na stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'CaCl2 was added in steps of 0.1 equivalent' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling Tris-HCl 2 mM . . 'natural abundance' $calbindin . mM 0.027 3.30 'natural abundance' $CA 0.027 mM . . 'natural abundance' sodium . mM 0.14 17.2 'natural abundance' 'potassium chloride' . mM 0 1000 'natural abundance' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software _Saveframe_category software _Name not_given _Version . loop_ _Vendor _Address _Electronic_address 'not given' . . stop_ loop_ _Task 'not given' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer GE _Model OMEGA _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_1D_1H_NMR_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1D 1H NMR' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.5 . pH pressure 1 . atm temperature 298 . K stop_ save_