data_1656 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 1656 _Entry.Title ; C-Terminal Retroviral-Type Zinc Finger Domain from the HIV-1 Nucleocapsid Protein Is Structurally Similar to the N-Terminal Zinc Finger Domain ; _Entry.Type macromolecule _Entry.Version_type update _Entry.Submission_date 1995-07-31 _Entry.Accession_date 1996-04-13 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination BMRB _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Terri South . L. . 1656 2 Paul Blake . R. . 1656 3 Dennis Hare . R. . 1656 4 Michael Summers . F. . 1656 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 1656 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 113 1656 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 5 . . 2010-06-15 . revision BMRB 'Complete natural source information' 1656 4 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1656 3 . . 1996-04-13 . revision BMRB 'Link to the Protein Data Bank added' 1656 2 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1656 1 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format' 1656 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 1656 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; South, Terri L., Blake, Paul R., Hare, Dennis R., Summers, Michael F., "C-Terminal Retroviral-Type Zinc Finger Domain from the HIV-1 Nucleocapsid Protein Is Structurally Similar to the N-Terminal Zinc Finger Domain," Biochemistry 30, 6342-6349 (1991). ; _Citation.Title ; C-Terminal Retroviral-Type Zinc Finger Domain from the HIV-1 Nucleocapsid Protein Is Structurally Similar to the N-Terminal Zinc Finger Domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 30 _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 6342 _Citation.Page_last 6349 _Citation.Year 1991 _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 Terri South . L. . 1656 1 2 Paul Blake . R. . 1656 1 3 Dennis Hare . R. . 1656 1 4 Michael Summers . F. . 1656 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_nucleocapsid_protein _Assembly.Sf_category assembly _Assembly.Sf_framecode system_nucleocapsid_protein _Assembly.Entry_ID 1656 _Assembly.ID 1 _Assembly.Name 'nucleocapsid protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic . _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 'nucleocapsid protein' 1 $nucleocapsid_protein . . . . . . . . . 1656 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'nucleocapsid protein' system 1656 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_nucleocapsid_protein _Entity.Sf_category entity _Entity.Sf_framecode nucleocapsid_protein _Entity.Entry_ID 1656 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'nucleocapsid protein' _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 KGCWKCGKEGHQMKDCTE _Entity.Polymer_seq_one_letter_code KGCWKCGKEGHQMKDCTE _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 . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 18 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _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 17216 . NCp7(12-55) . . . . . 100.00 44 100.00 100.00 3.66e-03 . . . . 1656 1 2 no BMRB 17228 . C-terminal_zinc_knuckle_of_the_HIVNCp7 . . . . . 100.00 19 100.00 100.00 6.34e-03 . . . . 1656 1 3 no BMRB 17229 . C-terminal_zinc_knuckle_of_the_HIVNCp7 . . . . . 100.00 19 100.00 100.00 6.34e-03 . . . . 1656 1 4 no BMRB 18980 . entity_1 . . . . . 100.00 55 100.00 100.00 2.87e-03 . . . . 1656 1 5 no BMRB 2217 . "nucleocapsid protein" . . . . . 100.00 39 100.00 100.00 5.37e-03 . . . . 1656 1 6 no BMRB 25532 . Gag . . . . . 100.00 432 100.00 100.00 2.58e-03 . . . . 1656 1 7 no PDB 1A1T . "Structure Of The Hiv-1 Nucleocapsid Protein Bound To The Sl3 Psi-Rna Recognition Element, Nmr, 25 Structures" . . . . . 100.00 55 100.00 100.00 3.11e-03 . . . . 1656 1 8 no PDB 1BJ6 . "1h Nmr Of (12-53) Ncp7D(ACGCC) COMPLEX, 10 STRUCTURES" . . . . . 100.00 42 100.00 100.00 4.85e-03 . . . . 1656 1 9 no PDB 1ESK . "Solution Structure Of Ncp7 From Hiv-1" . . . . . 100.00 42 100.00 100.00 4.85e-03 . . . . 1656 1 10 no PDB 1F6U . "Nmr Structure Of The Hiv-1 Nucleocapsid Protein Bound To Stem-Loop Sl2 Of The Psi-Rna Packaging Signal. Implications For Genome" . . . . . 100.00 56 100.00 100.00 3.08e-03 . . . . 1656 1 11 no PDB 1MFS . "Dynamical Behavior Of The Hiv-1 Nucleocapsid Protein; Nmr, 30 Structures" . . . . . 100.00 55 100.00 100.00 3.11e-03 . . . . 1656 1 12 no PDB 1NCP . "Structural Characterization Of A 39 Residue Synthetic Peptide Containing The Two Zinc Binding Domains From The Hiv-1 P7 Nucleoc" . . . . . 100.00 18 100.00 100.00 7.28e-03 . . . . 1656 1 13 no PDB 1Q3Y . "Nmr Structure Of The Cys28his Mutant (D Form) Of The Nucleocapsid Protein Ncp7 Of Hiv-1." . . . . . 100.00 42 100.00 100.00 3.91e-03 . . . . 1656 1 14 no PDB 1Q3Z . "Nmr Structure Of The Cys28his Mutant (e Form) Of The Nucleocapsid Protein Ncp7 Of Hiv-1" . . . . . 100.00 42 100.00 100.00 3.91e-03 . . . . 1656 1 15 no PDB 2EXF . "Solution Structure Of The Hiv-1 Nucleocapsid (Ncp7(12-55)) Complexed With The Dna (-) Primer Binding Site" . . . . . 100.00 44 100.00 100.00 3.66e-03 . . . . 1656 1 16 no PDB 2JZW . "How The Hiv-1 Nucleocapsid Protein Binds And Destabilises The (-)primer Binding Site During Reverse Transcription" . . . . . 100.00 44 100.00 100.00 3.66e-03 . . . . 1656 1 17 no PDB 2L44 . "C-Terminal Zinc Knuckle Of The Hivncp7" . . . . . 100.00 19 100.00 100.00 6.34e-03 . . . . 1656 1 18 no PDB 2L45 . "C-Terminal Zinc Knuckle Of The Hivncp7 With Dna" . . . . . 100.00 19 100.00 100.00 6.34e-03 . . . . 1656 1 19 no PDB 2L46 . "C-Terminal Zinc Finger Of The Hivncp7 With Platinated Dna" . . . . . 100.00 19 100.00 100.00 6.34e-03 . . . . 1656 1 20 no PDB 2L4L . "Structural Insights Into The Ctar Dna Recognition By The Hiv-1 Nucleocapsid Protein: Role Of Sugar Deoxyriboses In The Binding " . . . . . 100.00 45 100.00 100.00 3.69e-03 . . . . 1656 1 21 no PDB 2M3Z . "Nmr Solution Structure Of Hiv-1 Nucleocapsid Protein In Complex With An Inhibitor Displaying A 2 Inhibitors:1 Nc Stoichiometry" . . . . . 100.00 55 100.00 100.00 2.87e-03 . . . . 1656 1 22 no DBJ BAA12988 . "Gag [Human immunodeficiency virus 1]" . . . . . 100.00 512 100.00 100.00 2.41e-04 . . . . 1656 1 23 no DBJ BAA12996 . "Gag [Human immunodeficiency virus 1]" . . . . . 100.00 512 100.00 100.00 2.62e-04 . . . . 1656 1 24 no DBJ BAA84661 . "gag-pol fusion polyprotein [Human immunodeficiency virus 1]" . . . . . 100.00 1433 100.00 100.00 4.12e-03 . . . . 1656 1 25 no DBJ BAA84662 . "gag polyprotein precursor [Human immunodeficiency virus 1]" . . . . . 100.00 498 100.00 100.00 3.29e-03 . . . . 1656 1 26 no DBJ BAA84669 . "gag-pol fusion polyprotein [Human immunodeficiency virus 1]" . . . . . 100.00 1433 100.00 100.00 3.96e-03 . . . . 1656 1 27 no EMBL CAA28011 . "gag polyprotein [Human immunodeficiency virus 1]" . . . . . 100.00 505 100.00 100.00 2.48e-03 . . . . 1656 1 28 no EMBL CAA42971 . "p24/p25/p7 [Human immunodeficiency virus 1]" . . . . . 100.00 75 100.00 100.00 1.25e-03 . . . . 1656 1 29 no EMBL CAA42973 . "p24/p25/p7 [Human immunodeficiency virus 1]" . . . . . 83.33 66 100.00 100.00 2.28e-01 . . . . 1656 1 30 no EMBL CAA73647 . "gag protein [Human immunodeficiency virus 1]" . . . . . 100.00 467 100.00 100.00 2.50e-03 . . . . 1656 1 31 no EMBL CAA77483 . "p24/p25/p7, partial [Human immunodeficiency virus 1]" . . . . . 100.00 76 100.00 100.00 1.17e-03 . . . . 1656 1 32 no GB AAA43911 . "core protein, partial [Human immunodeficiency virus 1]" . . . . . 100.00 492 100.00 100.00 2.50e-03 . . . . 1656 1 33 no GB AAA44201 . "gag polyprotein precursor [Human immunodeficiency virus 1]" . . . . . 100.00 512 100.00 100.00 2.45e-04 . . . . 1656 1 34 no GB AAA44313 . "gag protein, partial [Human immunodeficiency virus 1]" . . . . . 100.00 492 100.00 100.00 5.00e-04 . . . . 1656 1 35 no GB AAA44314 . "gag protein, partial [Human immunodeficiency virus 1]" . . . . . 100.00 484 100.00 100.00 2.78e-03 . . . . 1656 1 36 no GB AAA44317 . "gag protein, partial [Human immunodeficiency virus 1]" . . . . . 100.00 486 100.00 100.00 2.76e-03 . . . . 1656 1 37 no PIR FOVWLV . "gag polyprotein - human immunodeficiency virus type 1 (isolate LAV-1a)" . . . . . 100.00 500 100.00 100.00 3.36e-04 . . . . 1656 1 38 no PRF 1102247B . "protein gag" . . . . . 100.00 512 100.00 100.00 2.45e-04 . . . . 1656 1 39 no PRF 1103299C . "gag gene" . . . . . 100.00 478 100.00 100.00 2.95e-03 . . . . 1656 1 40 no REF NP_057849 . "Gag-Pol [Human immunodeficiency virus 1]" . . . . . 100.00 1435 100.00 100.00 4.12e-03 . . . . 1656 1 41 no REF NP_057850 . "Pr55(Gag) [Human immunodeficiency virus 1]" . . . . . 100.00 500 100.00 100.00 3.36e-04 . . . . 1656 1 42 no REF NP_579881 . "nucleocapsid [Human immunodeficiency virus 1]" . . . . . 100.00 55 100.00 100.00 2.73e-03 . . . . 1656 1 43 no SP O89939 . "RecName: Full=Gag polyprotein; AltName: Full=Pr55Gag; Contains: RecName: Full=Matrix protein p17; Short=MA; Contains: RecName: " . . . . . 100.00 495 100.00 100.00 2.68e-03 . . . . 1656 1 44 no SP O89940 . "RecName: Full=Gag-Pol polyprotein; AltName: Full=Pr160Gag-Pol; Contains: RecName: Full=Matrix protein p17; Short=MA; Contains: " . . . . . 100.00 1433 100.00 100.00 3.71e-03 . . . . 1656 1 45 no SP P03347 . "RecName: Full=Gag polyprotein; AltName: Full=Pr55Gag; Contains: RecName: Full=Matrix protein p17; Short=MA; Contains: RecName: " . . . . . 100.00 512 100.00 100.00 2.45e-04 . . . . 1656 1 46 no SP P03348 . "RecName: Full=Gag polyprotein; AltName: Full=Pr55Gag; Contains: RecName: Full=Matrix protein p17; Short=MA; Contains: RecName: " . . . . . 100.00 512 100.00 100.00 2.41e-04 . . . . 1656 1 47 no SP P03366 . "RecName: Full=Gag-Pol polyprotein; AltName: Full=Pr160Gag-Pol; Contains: RecName: Full=Matrix protein p17; Short=MA; Contains: " . . . . . 100.00 1447 100.00 100.00 3.89e-03 . . . . 1656 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'nucleocapsid protein' common 1656 1 'zinc finger Zn-HIV1-F2' variant 1656 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 . 1656 1 2 . GLY . 1656 1 3 . CYS . 1656 1 4 . TRP . 1656 1 5 . LYS . 1656 1 6 . CYS . 1656 1 7 . GLY . 1656 1 8 . LYS . 1656 1 9 . GLU . 1656 1 10 . GLY . 1656 1 11 . HIS . 1656 1 12 . GLN . 1656 1 13 . MET . 1656 1 14 . LYS . 1656 1 15 . ASP . 1656 1 16 . CYS . 1656 1 17 . THR . 1656 1 18 . GLU . 1656 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 1656 1 . GLY 2 2 1656 1 . CYS 3 3 1656 1 . TRP 4 4 1656 1 . LYS 5 5 1656 1 . CYS 6 6 1656 1 . GLY 7 7 1656 1 . LYS 8 8 1656 1 . GLU 9 9 1656 1 . GLY 10 10 1656 1 . HIS 11 11 1656 1 . GLN 12 12 1656 1 . MET 13 13 1656 1 . LYS 14 14 1656 1 . ASP 15 15 1656 1 . CYS 16 16 1656 1 . THR 17 17 1656 1 . GLU 18 18 1656 1 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 1656 _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 $nucleocapsid_protein . 12721 virus . HIV HIV . . Virus . HIV . generic . . . . . . . . . . . . . . . . . . . . 1656 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 1656 _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 $nucleocapsid_protein . 'not available' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1656 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 1656 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 . save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_condition_set_one _Sample_condition_list.Entry_ID 1656 _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 7 . na 1656 1 temperature 271 . K 1656 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 1656 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 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 1656 _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 unknown unknown . 0 'spectrometer information not available' . . 1656 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 1656 _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 . . . . . . . . . . . . 1 $sample_one . . . 1 $sample_condition_set_one . . . 1 $spectrometer_list . . . . . . . . . . . . . . . . 1656 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_par_set_one _Chem_shift_reference.Entry_ID 1656 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H . H2O/HDO . . . . . ppm 5.03 . . . . . . 1 $entry_citation . . 1 $entry_citation 1656 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_assignment_data_set_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode 'chemical_shift_assignment_data_set_one' _Assigned_chem_shift_list.Entry_ID 1656 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 1656 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 LYS HA H 1 3.93 . . 1 . . . . . . . . 1656 1 2 . 1 1 1 1 LYS HB2 H 1 1.84 . . 1 . . . . . . . . 1656 1 3 . 1 1 1 1 LYS HB3 H 1 1.84 . . 1 . . . . . . . . 1656 1 4 . 1 1 1 1 LYS HG2 H 1 1.42 . . 1 . . . . . . . . 1656 1 5 . 1 1 1 1 LYS HG3 H 1 1.42 . . 1 . . . . . . . . 1656 1 6 . 1 1 1 1 LYS HD2 H 1 1.64 . . 1 . . . . . . . . 1656 1 7 . 1 1 1 1 LYS HD3 H 1 1.64 . . 1 . . . . . . . . 1656 1 8 . 1 1 1 1 LYS HE2 H 1 2.89 . . 1 . . . . . . . . 1656 1 9 . 1 1 1 1 LYS HE3 H 1 2.89 . . 1 . . . . . . . . 1656 1 10 . 1 1 2 2 GLY H H 1 8.74 . . 1 . . . . . . . . 1656 1 11 . 1 1 2 2 GLY HA2 H 1 3.37 . . 2 . . . . . . . . 1656 1 12 . 1 1 2 2 GLY HA3 H 1 3.74 . . 2 . . . . . . . . 1656 1 13 . 1 1 3 3 CYS H H 1 8.19 . . 1 . . . . . . . . 1656 1 14 . 1 1 3 3 CYS HA H 1 3.96 . . 1 . . . . . . . . 1656 1 15 . 1 1 3 3 CYS HB2 H 1 2 . . 2 . . . . . . . . 1656 1 16 . 1 1 3 3 CYS HB3 H 1 2.84 . . 2 . . . . . . . . 1656 1 17 . 1 1 4 4 TRP H H 1 8.79 . . 1 . . . . . . . . 1656 1 18 . 1 1 4 4 TRP HA H 1 4.36 . . 1 . . . . . . . . 1656 1 19 . 1 1 4 4 TRP HB2 H 1 3.35 . . 2 . . . . . . . . 1656 1 20 . 1 1 4 4 TRP HB3 H 1 3.46 . . 2 . . . . . . . . 1656 1 21 . 1 1 4 4 TRP HD1 H 1 7.31 . . 1 . . . . . . . . 1656 1 22 . 1 1 4 4 TRP HE1 H 1 10.16 . . 1 . . . . . . . . 1656 1 23 . 1 1 4 4 TRP HE3 H 1 7.57 . . 1 . . . . . . . . 1656 1 24 . 1 1 4 4 TRP HZ2 H 1 7.46 . . 1 . . . . . . . . 1656 1 25 . 1 1 4 4 TRP HZ3 H 1 7.1 . . 1 . . . . . . . . 1656 1 26 . 1 1 4 4 TRP HH2 H 1 7.19 . . 1 . . . . . . . . 1656 1 27 . 1 1 5 5 LYS H H 1 9.39 . . 1 . . . . . . . . 1656 1 28 . 1 1 5 5 LYS HA H 1 4.16 . . 1 . . . . . . . . 1656 1 29 . 1 1 5 5 LYS HB2 H 1 2.26 . . 1 . . . . . . . . 1656 1 30 . 1 1 5 5 LYS HB3 H 1 2.26 . . 1 . . . . . . . . 1656 1 31 . 1 1 5 5 LYS HG2 H 1 1.64 . . 1 . . . . . . . . 1656 1 32 . 1 1 5 5 LYS HG3 H 1 1.64 . . 1 . . . . . . . . 1656 1 33 . 1 1 5 5 LYS HD2 H 1 1.25 . . 1 . . . . . . . . 1656 1 34 . 1 1 5 5 LYS HD3 H 1 1.25 . . 1 . . . . . . . . 1656 1 35 . 1 1 5 5 LYS HE2 H 1 2.88 . . 1 . . . . . . . . 1656 1 36 . 1 1 5 5 LYS HE3 H 1 2.88 . . 1 . . . . . . . . 1656 1 37 . 1 1 6 6 CYS H H 1 8.5 . . 1 . . . . . . . . 1656 1 38 . 1 1 6 6 CYS HA H 1 4.89 . . 1 . . . . . . . . 1656 1 39 . 1 1 6 6 CYS HB2 H 1 2.49 . . 2 . . . . . . . . 1656 1 40 . 1 1 6 6 CYS HB3 H 1 3.17 . . 2 . . . . . . . . 1656 1 41 . 1 1 7 7 GLY H H 1 8.16 . . 1 . . . . . . . . 1656 1 42 . 1 1 7 7 GLY HA2 H 1 3.8 . . 2 . . . . . . . . 1656 1 43 . 1 1 7 7 GLY HA3 H 1 4.07 . . 2 . . . . . . . . 1656 1 44 . 1 1 8 8 LYS H H 1 8.46 . . 1 . . . . . . . . 1656 1 45 . 1 1 8 8 LYS HA H 1 4.34 . . 1 . . . . . . . . 1656 1 46 . 1 1 8 8 LYS HB2 H 1 1.85 . . 1 . . . . . . . . 1656 1 47 . 1 1 8 8 LYS HB3 H 1 1.85 . . 1 . . . . . . . . 1656 1 48 . 1 1 8 8 LYS HG2 H 1 1.39 . . 1 . . . . . . . . 1656 1 49 . 1 1 8 8 LYS HG3 H 1 1.39 . . 1 . . . . . . . . 1656 1 50 . 1 1 8 8 LYS HD2 H 1 1.56 . . 1 . . . . . . . . 1656 1 51 . 1 1 8 8 LYS HD3 H 1 1.56 . . 1 . . . . . . . . 1656 1 52 . 1 1 8 8 LYS HE2 H 1 2.94 . . 1 . . . . . . . . 1656 1 53 . 1 1 8 8 LYS HE3 H 1 2.94 . . 1 . . . . . . . . 1656 1 54 . 1 1 9 9 GLU H H 1 8.58 . . 1 . . . . . . . . 1656 1 55 . 1 1 9 9 GLU HA H 1 4.16 . . 1 . . . . . . . . 1656 1 56 . 1 1 9 9 GLU HB2 H 1 1.79 . . 2 . . . . . . . . 1656 1 57 . 1 1 9 9 GLU HB3 H 1 1.98 . . 2 . . . . . . . . 1656 1 58 . 1 1 9 9 GLU HG2 H 1 2.14 . . 2 . . . . . . . . 1656 1 59 . 1 1 9 9 GLU HG3 H 1 2.26 . . 2 . . . . . . . . 1656 1 60 . 1 1 10 10 GLY H H 1 8.75 . . 1 . . . . . . . . 1656 1 61 . 1 1 10 10 GLY HA2 H 1 4.36 . . 2 . . . . . . . . 1656 1 62 . 1 1 10 10 GLY HA3 H 1 3.66 . . 2 . . . . . . . . 1656 1 63 . 1 1 11 11 HIS H H 1 7.16 . . 1 . . . . . . . . 1656 1 64 . 1 1 11 11 HIS HA H 1 4.78 . . 1 . . . . . . . . 1656 1 65 . 1 1 11 11 HIS HB2 H 1 3.16 . . 1 . . . . . . . . 1656 1 66 . 1 1 11 11 HIS HB3 H 1 3.16 . . 1 . . . . . . . . 1656 1 67 . 1 1 11 11 HIS HD2 H 1 6.8 . . 1 . . . . . . . . 1656 1 68 . 1 1 11 11 HIS HE1 H 1 7.44 . . 1 . . . . . . . . 1656 1 69 . 1 1 12 12 GLN H H 1 9.03 . . 1 . . . . . . . . 1656 1 70 . 1 1 12 12 GLN HA H 1 4.63 . . 1 . . . . . . . . 1656 1 71 . 1 1 12 12 GLN HB2 H 1 1.89 . . 2 . . . . . . . . 1656 1 72 . 1 1 12 12 GLN HB3 H 1 2.03 . . 2 . . . . . . . . 1656 1 73 . 1 1 12 12 GLN HG2 H 1 2.03 . . 1 . . . . . . . . 1656 1 74 . 1 1 12 12 GLN HG3 H 1 2.03 . . 1 . . . . . . . . 1656 1 75 . 1 1 13 13 MET H H 1 9.03 . . 1 . . . . . . . . 1656 1 76 . 1 1 13 13 MET HA H 1 4.76 . . 1 . . . . . . . . 1656 1 77 . 1 1 13 13 MET HB2 H 1 2.16 . . 1 . . . . . . . . 1656 1 78 . 1 1 13 13 MET HB3 H 1 2.16 . . 1 . . . . . . . . 1656 1 79 . 1 1 13 13 MET HG2 H 1 2.49 . . 1 . . . . . . . . 1656 1 80 . 1 1 13 13 MET HG3 H 1 2.49 . . 1 . . . . . . . . 1656 1 81 . 1 1 13 13 MET HE1 H 1 2.1 . . 1 . . . . . . . . 1656 1 82 . 1 1 13 13 MET HE2 H 1 2.1 . . 1 . . . . . . . . 1656 1 83 . 1 1 13 13 MET HE3 H 1 2.1 . . 1 . . . . . . . . 1656 1 84 . 1 1 14 14 LYS H H 1 8.77 . . 1 . . . . . . . . 1656 1 85 . 1 1 14 14 LYS HA H 1 4.12 . . 1 . . . . . . . . 1656 1 86 . 1 1 14 14 LYS HB2 H 1 1.71 . . 1 . . . . . . . . 1656 1 87 . 1 1 14 14 LYS HB3 H 1 1.71 . . 1 . . . . . . . . 1656 1 88 . 1 1 14 14 LYS HG2 H 1 1.85 . . 1 . . . . . . . . 1656 1 89 . 1 1 14 14 LYS HG3 H 1 1.85 . . 1 . . . . . . . . 1656 1 90 . 1 1 14 14 LYS HD2 H 1 1.21 . . 1 . . . . . . . . 1656 1 91 . 1 1 14 14 LYS HD3 H 1 1.21 . . 1 . . . . . . . . 1656 1 92 . 1 1 14 14 LYS HE2 H 1 2.87 . . 1 . . . . . . . . 1656 1 93 . 1 1 14 14 LYS HE3 H 1 2.87 . . 1 . . . . . . . . 1656 1 94 . 1 1 15 15 ASP H H 1 7.96 . . 1 . . . . . . . . 1656 1 95 . 1 1 15 15 ASP HA H 1 4.88 . . 1 . . . . . . . . 1656 1 96 . 1 1 15 15 ASP HB2 H 1 2.51 . . 2 . . . . . . . . 1656 1 97 . 1 1 15 15 ASP HB3 H 1 2.94 . . 2 . . . . . . . . 1656 1 98 . 1 1 16 16 CYS H H 1 7.75 . . 1 . . . . . . . . 1656 1 99 . 1 1 16 16 CYS HA H 1 3.65 . . 1 . . . . . . . . 1656 1 100 . 1 1 16 16 CYS HB2 H 1 2.85 . . 2 . . . . . . . . 1656 1 101 . 1 1 16 16 CYS HB3 H 1 3.28 . . 2 . . . . . . . . 1656 1 102 . 1 1 17 17 THR H H 1 8.44 . . 1 . . . . . . . . 1656 1 103 . 1 1 17 17 THR HA H 1 4.43 . . 1 . . . . . . . . 1656 1 104 . 1 1 17 17 THR HB H 1 4.43 . . 1 . . . . . . . . 1656 1 105 . 1 1 17 17 THR HG21 H 1 1.06 . . 1 . . . . . . . . 1656 1 106 . 1 1 17 17 THR HG22 H 1 1.06 . . 1 . . . . . . . . 1656 1 107 . 1 1 17 17 THR HG23 H 1 1.06 . . 1 . . . . . . . . 1656 1 108 . 1 1 18 18 GLU H H 1 8.67 . . 1 . . . . . . . . 1656 1 109 . 1 1 18 18 GLU HA H 1 4.04 . . 1 . . . . . . . . 1656 1 110 . 1 1 18 18 GLU HB2 H 1 1.82 . . 1 . . . . . . . . 1656 1 111 . 1 1 18 18 GLU HB3 H 1 1.82 . . 1 . . . . . . . . 1656 1 112 . 1 1 18 18 GLU HG2 H 1 2.34 . . 2 . . . . . . . . 1656 1 113 . 1 1 18 18 GLU HG3 H 1 2.16 . . 2 . . . . . . . . 1656 1 stop_ save_