data_444 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 444 _Entry.Title ; Structure of the DNA binding wing of the gene-V encoded single-stranded DNA binding protein of the filamentous bacteriophage M13 ; _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 John 'van Duynhoven' . P.M. . 444 2 P. Folkers . J.M. . 444 3 A. Stassen . P.M. . 444 4 B. Harmsen . J.M. . 444 5 R. Konings . N.H. . 444 6 C. Hilbers . W. . 444 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 444 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 110 444 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 . . 2010-06-11 . revision BMRB 'Complete natural source information' 444 4 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 444 3 . . 1996-04-13 . revision BMRB 'Link to the Protein Data Bank added' 444 2 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 444 1 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format' 444 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 444 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; van Duynhoven, John P.M., Folkers, P.J.M., Stassen, A.P.M., Harmsen, B.J.M., Konings, R.N.H., Hilbers, C. W., "Structure of the DNA binding wing of the gene-V encoded single-stranded DNA binding protein of the filamentous bacteriophage M13," FEBS Lett. 261, 1-4 (1990). ; _Citation.Title ; Structure of the DNA binding wing of the gene-V encoded single-stranded DNA binding protein of the filamentous bacteriophage M13 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS Lett.' _Citation.Journal_name_full . _Citation.Journal_volume 261 _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 1 _Citation.Page_last 4 _Citation.Year 1990 _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 John 'van Duynhoven' . P.M. . 444 1 2 P. Folkers . J.M. . 444 1 3 A. Stassen . P.M. . 444 1 4 B. Harmsen . J.M. . 444 1 5 R. Konings . N.H. . 444 1 6 C. Hilbers . W. . 444 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_gene_V_protein _Assembly.Sf_category assembly _Assembly.Sf_framecode system_gene_V_protein _Assembly.Entry_ID 444 _Assembly.ID 1 _Assembly.Name 'gene V 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 'gene V protein' 1 $gene_V_protein . . . . . . . . . 444 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'gene V protein' system 444 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_gene_V_protein _Entity.Sf_category entity _Entity.Sf_framecode gene_V_protein _Entity.Entry_ID 444 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'gene V 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 ; MIKVEIKPSQAQFTTRSGVS RQGKPYSLNEQLCYVDLGNE HPVLVKITLDEGQPAYAPGL YTVHLSSFKVGQFGSLMIDR LRLVPAK ; _Entity.Polymer_seq_one_letter_code ; MIKVEIKPSQAQFTTRSGVS RQGKPYSLNEQLCYVDLGNE HPVLVKITLDEGQPAYAPGL YTVHLSSFKVGQFGSLMIDR LRLVPAK ; _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 87 _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 2015-11-24 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 2039 . "gene V protein" . . . . . 100.00 87 100.00 100.00 2.75e-56 . . . . 444 1 2 no PDB 1AE2 . "Mutant L32r Of Gene V Protein (Single-Stranded Dna Binding Protein)" . . . . . 100.00 87 97.70 98.85 2.13e-54 . . . . 444 1 3 no PDB 1AE3 . "Mutant R82c Of Gene V Protein (Single-Stranded Dna Binding Protein)" . . . . . 98.85 86 97.67 98.84 3.29e-53 . . . . 444 1 4 no PDB 1GKH . "Mutant K69h Of Gene V Protein (Single-Stranded Dna Binding Protein)" . . . . . 100.00 87 97.70 98.85 2.22e-54 . . . . 444 1 5 no PDB 1GVP . "Gene V Protein (Single-Stranded Dna Binding Protein)" . . . . . 100.00 87 98.85 100.00 2.54e-55 . . . . 444 1 6 no PDB 1VQB . "Gene V Protein (Single-Stranded Dna Binding Protein)" . . . . . 100.00 87 98.85 100.00 2.54e-55 . . . . 444 1 7 no PDB 1VQG . "Gene V Protein Mutant With Ile 47 Replaced By Leu 47 (I47l)" . . . . . 100.00 87 97.70 100.00 6.85e-55 . . . . 444 1 8 no PDB 1VQH . "Gene V Protein Mutant With Ile 47 Replaced By Met 47 (I47m)" . . . . . 100.00 87 97.70 100.00 7.32e-55 . . . . 444 1 9 no PDB 1VQI . "Gene V Protein Mutant With Ile 47 Replaced By Val 47 (I47v)" . . . . . 100.00 87 97.70 100.00 4.24e-55 . . . . 444 1 10 no PDB 1VQJ . "Gene V Protein Mutant With Val 35 Replaced By Ile 35 (V35i)" . . . . . 100.00 87 97.70 100.00 4.06e-55 . . . . 444 1 11 no PDB 1YHA . "Crystal Structures Of Y41h And Y41f Mutants Of Gene V Protein From Ff Phage Suggest Possible Protein-Protein Interactions In Gv" . . . . . 100.00 87 100.00 100.00 2.75e-56 . . . . 444 1 12 no PDB 1YHB . "Crystal Structures Of Y41h And Y41f Mutants Of Gene V Protein From Ff Phage Suggest Possible Protein-Protein Interactions In Gv" . . . . . 100.00 87 98.85 98.85 6.28e-55 . . . . 444 1 13 no PDB 2GN5 . "Refined Structure Of The Gene 5 Dna Binding Protein From Bacteriophage Fd" . . . . . 100.00 87 98.85 100.00 2.54e-55 . . . . 444 1 14 no PDB 2GVA . "Refined Solution Structure Of The Tyr 41--> His Mutant Of The M13 Gene V Protein. A Comparison With The Crystal Structure" . . . . . 100.00 87 100.00 100.00 2.75e-56 . . . . 444 1 15 no PDB 2GVB . "Refined Solution Structure Of The Tyr 41--> His Mutant Of The M13 Gene V Protein. A Comparison With The Crystal Structure" . . . . . 100.00 87 100.00 100.00 2.75e-56 . . . . 444 1 16 no DBJ BAF74204 . "protein V [Enterobacteria phage f1]" . . . . . 100.00 87 98.85 100.00 2.54e-55 . . . . 444 1 17 no DBJ BAF74214 . "protein V [Enterobacteria phage f1]" . . . . . 100.00 87 98.85 100.00 2.54e-55 . . . . 444 1 18 no EMBL CAA23858 . "helix destabilising protein [Enterobacteria phage M13]" . . . . . 100.00 87 98.85 100.00 2.54e-55 . . . . 444 1 19 no EMBL CAA23868 . "unnamed protein product [Enterobacteria phage f1]" . . . . . 100.00 87 98.85 100.00 2.54e-55 . . . . 444 1 20 no GB AAA32211 . "protein V [Enterobacteria phage f1]" . . . . . 100.00 87 98.85 100.00 2.54e-55 . . . . 444 1 21 no GB AAA32226 . "gene V protein, partial [Enterobacteria phage f1]" . . . . . 51.72 45 97.78 100.00 4.33e-23 . . . . 444 1 22 no GB AAA32305 . "V [Enterobacteria phage fd]" . . . . . 100.00 87 98.85 100.00 2.54e-55 . . . . 444 1 23 no GB AAF75603 . "cytosolic single-stranded DNA binding protein pV [Filamentous phage cloning vector fd-tet]" . . . . . 100.00 87 98.85 100.00 2.54e-55 . . . . 444 1 24 no GB AAM73885 . "cytosolic single-stranded DNA binding protein pV [Filamentous phage display vector f8-5]" . . . . . 100.00 87 98.85 100.00 2.54e-55 . . . . 444 1 25 no PRF 0812197G . DNA,phage . . . . . 100.00 87 98.85 100.00 2.54e-55 . . . . 444 1 26 no REF NP_510887 . "helix destabilising protein [Enterobacteria phage M13]" . . . . . 100.00 87 98.85 100.00 2.54e-55 . . . . 444 1 27 no REF YP_009111289 . "protein V [Enterobacteria phage f1]" . . . . . 100.00 87 98.85 100.00 2.54e-55 . . . . 444 1 28 no REF YP_009111299 . "V [Enterobacteria phage fd]" . . . . . 100.00 87 98.85 100.00 2.54e-55 . . . . 444 1 29 no SP P69542 . "RecName: Full=DNA-Binding protein G5P; Short=G5P; AltName: Full=GPV; AltName: Full=Single-stranded DNA-binding protein" . . . . . 100.00 87 98.85 100.00 2.54e-55 . . . . 444 1 30 no SP P69543 . "RecName: Full=DNA-Binding protein G5P; Short=G5P; AltName: Full=GPV; AltName: Full=Single-stranded DNA-binding protein" . . . . . 100.00 87 98.85 100.00 2.54e-55 . . . . 444 1 31 no SP P69544 . "RecName: Full=DNA-Binding protein G5P; Short=G5P; AltName: Full=Single-stranded DNA-binding protein" . . . . . 100.00 87 98.85 100.00 2.54e-55 . . . . 444 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'gene V protein' common 444 1 Y41H variant 444 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 . MET . 444 1 2 . ILE . 444 1 3 . LYS . 444 1 4 . VAL . 444 1 5 . GLU . 444 1 6 . ILE . 444 1 7 . LYS . 444 1 8 . PRO . 444 1 9 . SER . 444 1 10 . GLN . 444 1 11 . ALA . 444 1 12 . GLN . 444 1 13 . PHE . 444 1 14 . THR . 444 1 15 . THR . 444 1 16 . ARG . 444 1 17 . SER . 444 1 18 . GLY . 444 1 19 . VAL . 444 1 20 . SER . 444 1 21 . ARG . 444 1 22 . GLN . 444 1 23 . GLY . 444 1 24 . LYS . 444 1 25 . PRO . 444 1 26 . TYR . 444 1 27 . SER . 444 1 28 . LEU . 444 1 29 . ASN . 444 1 30 . GLU . 444 1 31 . GLN . 444 1 32 . LEU . 444 1 33 . CYS . 444 1 34 . TYR . 444 1 35 . VAL . 444 1 36 . ASP . 444 1 37 . LEU . 444 1 38 . GLY . 444 1 39 . ASN . 444 1 40 . GLU . 444 1 41 . HIS . 444 1 42 . PRO . 444 1 43 . VAL . 444 1 44 . LEU . 444 1 45 . VAL . 444 1 46 . LYS . 444 1 47 . ILE . 444 1 48 . THR . 444 1 49 . LEU . 444 1 50 . ASP . 444 1 51 . GLU . 444 1 52 . GLY . 444 1 53 . GLN . 444 1 54 . PRO . 444 1 55 . ALA . 444 1 56 . TYR . 444 1 57 . ALA . 444 1 58 . PRO . 444 1 59 . GLY . 444 1 60 . LEU . 444 1 61 . TYR . 444 1 62 . THR . 444 1 63 . VAL . 444 1 64 . HIS . 444 1 65 . LEU . 444 1 66 . SER . 444 1 67 . SER . 444 1 68 . PHE . 444 1 69 . LYS . 444 1 70 . VAL . 444 1 71 . GLY . 444 1 72 . GLN . 444 1 73 . PHE . 444 1 74 . GLY . 444 1 75 . SER . 444 1 76 . LEU . 444 1 77 . MET . 444 1 78 . ILE . 444 1 79 . ASP . 444 1 80 . ARG . 444 1 81 . LEU . 444 1 82 . ARG . 444 1 83 . LEU . 444 1 84 . VAL . 444 1 85 . PRO . 444 1 86 . ALA . 444 1 87 . LYS . 444 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 . MET 1 1 444 1 . ILE 2 2 444 1 . LYS 3 3 444 1 . VAL 4 4 444 1 . GLU 5 5 444 1 . ILE 6 6 444 1 . LYS 7 7 444 1 . PRO 8 8 444 1 . SER 9 9 444 1 . GLN 10 10 444 1 . ALA 11 11 444 1 . GLN 12 12 444 1 . PHE 13 13 444 1 . THR 14 14 444 1 . THR 15 15 444 1 . ARG 16 16 444 1 . SER 17 17 444 1 . GLY 18 18 444 1 . VAL 19 19 444 1 . SER 20 20 444 1 . ARG 21 21 444 1 . GLN 22 22 444 1 . GLY 23 23 444 1 . LYS 24 24 444 1 . PRO 25 25 444 1 . TYR 26 26 444 1 . SER 27 27 444 1 . LEU 28 28 444 1 . ASN 29 29 444 1 . GLU 30 30 444 1 . GLN 31 31 444 1 . LEU 32 32 444 1 . CYS 33 33 444 1 . TYR 34 34 444 1 . VAL 35 35 444 1 . ASP 36 36 444 1 . LEU 37 37 444 1 . GLY 38 38 444 1 . ASN 39 39 444 1 . GLU 40 40 444 1 . HIS 41 41 444 1 . PRO 42 42 444 1 . VAL 43 43 444 1 . LEU 44 44 444 1 . VAL 45 45 444 1 . LYS 46 46 444 1 . ILE 47 47 444 1 . THR 48 48 444 1 . LEU 49 49 444 1 . ASP 50 50 444 1 . GLU 51 51 444 1 . GLY 52 52 444 1 . GLN 53 53 444 1 . PRO 54 54 444 1 . ALA 55 55 444 1 . TYR 56 56 444 1 . ALA 57 57 444 1 . PRO 58 58 444 1 . GLY 59 59 444 1 . LEU 60 60 444 1 . TYR 61 61 444 1 . THR 62 62 444 1 . VAL 63 63 444 1 . HIS 64 64 444 1 . LEU 65 65 444 1 . SER 66 66 444 1 . SER 67 67 444 1 . PHE 68 68 444 1 . LYS 69 69 444 1 . VAL 70 70 444 1 . GLY 71 71 444 1 . GLN 72 72 444 1 . PHE 73 73 444 1 . GLY 74 74 444 1 . SER 75 75 444 1 . LEU 76 76 444 1 . MET 77 77 444 1 . ILE 78 78 444 1 . ASP 79 79 444 1 . ARG 80 80 444 1 . LEU 81 81 444 1 . ARG 82 82 444 1 . LEU 83 83 444 1 . VAL 84 84 444 1 . PRO 85 85 444 1 . ALA 86 86 444 1 . LYS 87 87 444 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 444 _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 $gene_V_protein . 12420 organism . 'Filamentous phage' 'M13 filamentous phage' . . Virus . Filamentous phage 'gp-V Y41H' . . . . . . . . . . . . . . . . . . . . 444 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 444 _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 $gene_V_protein . 'not available' 'Escherichia coli' . . . Escherichia coli K37 . . . . . . . . . . . . . . . . . . . . . . 444 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 444 _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 444 _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 5.2 . na 444 1 temperature 298 . K 444 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 444 _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 444 _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' . . 444 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 444 _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 . . . . . . . . . . . . . . . . 444 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 444 _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 . TSP . . . . . ppm 0 . . . . . . 1 $entry_citation . . 1 $entry_citation 444 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 444 _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 . 444 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 13 13 PHE H H 1 7.83 . . 1 . . . . . . . . 444 1 2 . 1 1 13 13 PHE HA H 1 5.4 . . 1 . . . . . . . . 444 1 3 . 1 1 13 13 PHE HB2 H 1 3.68 . . 2 . . . . . . . . 444 1 4 . 1 1 13 13 PHE HB3 H 1 3.26 . . 2 . . . . . . . . 444 1 5 . 1 1 13 13 PHE HD1 H 1 6.93 . . 1 . . . . . . . . 444 1 6 . 1 1 13 13 PHE HD2 H 1 6.93 . . 1 . . . . . . . . 444 1 7 . 1 1 13 13 PHE HE1 H 1 7.27 . . 1 . . . . . . . . 444 1 8 . 1 1 13 13 PHE HE2 H 1 7.27 . . 1 . . . . . . . . 444 1 9 . 1 1 13 13 PHE HZ H 1 7.27 . . 1 . . . . . . . . 444 1 10 . 1 1 14 14 THR H H 1 9.21 . . 1 . . . . . . . . 444 1 11 . 1 1 14 14 THR HA H 1 4.73 . . 1 . . . . . . . . 444 1 12 . 1 1 14 14 THR HB H 1 4.23 . . 1 . . . . . . . . 444 1 13 . 1 1 14 14 THR HG21 H 1 1.28 . . 1 . . . . . . . . 444 1 14 . 1 1 14 14 THR HG22 H 1 1.28 . . 1 . . . . . . . . 444 1 15 . 1 1 14 14 THR HG23 H 1 1.28 . . 1 . . . . . . . . 444 1 16 . 1 1 15 15 THR H H 1 8.87 . . 1 . . . . . . . . 444 1 17 . 1 1 15 15 THR HA H 1 5.35 . . 1 . . . . . . . . 444 1 18 . 1 1 15 15 THR HB H 1 3.92 . . 1 . . . . . . . . 444 1 19 . 1 1 15 15 THR HG21 H 1 1.23 . . 1 . . . . . . . . 444 1 20 . 1 1 15 15 THR HG22 H 1 1.23 . . 1 . . . . . . . . 444 1 21 . 1 1 15 15 THR HG23 H 1 1.23 . . 1 . . . . . . . . 444 1 22 . 1 1 16 16 ARG H H 1 9.36 . . 1 . . . . . . . . 444 1 23 . 1 1 16 16 ARG HA H 1 4.75 . . 1 . . . . . . . . 444 1 24 . 1 1 16 16 ARG HB2 H 1 1.88 . . 2 . . . . . . . . 444 1 25 . 1 1 16 16 ARG HB3 H 1 1.8 . . 2 . . . . . . . . 444 1 26 . 1 1 16 16 ARG HG2 H 1 1.6 . . 1 . . . . . . . . 444 1 27 . 1 1 16 16 ARG HG3 H 1 1.6 . . 1 . . . . . . . . 444 1 28 . 1 1 17 17 SER H H 1 8.56 . . 1 . . . . . . . . 444 1 29 . 1 1 17 17 SER HA H 1 5.01 . . 1 . . . . . . . . 444 1 30 . 1 1 17 17 SER HB2 H 1 3.81 . . 1 . . . . . . . . 444 1 31 . 1 1 17 17 SER HB3 H 1 3.81 . . 1 . . . . . . . . 444 1 32 . 1 1 18 18 GLY H H 1 7.66 . . 1 . . . . . . . . 444 1 33 . 1 1 18 18 GLY HA2 H 1 4.07 . . 2 . . . . . . . . 444 1 34 . 1 1 18 18 GLY HA3 H 1 3.54 . . 2 . . . . . . . . 444 1 35 . 1 1 19 19 VAL H H 1 8.41 . . 1 . . . . . . . . 444 1 36 . 1 1 19 19 VAL HA H 1 4.57 . . 1 . . . . . . . . 444 1 37 . 1 1 19 19 VAL HB H 1 1.89 . . 1 . . . . . . . . 444 1 38 . 1 1 19 19 VAL HG11 H 1 .88 . . 1 . . . . . . . . 444 1 39 . 1 1 19 19 VAL HG12 H 1 .88 . . 1 . . . . . . . . 444 1 40 . 1 1 19 19 VAL HG13 H 1 .88 . . 1 . . . . . . . . 444 1 41 . 1 1 19 19 VAL HG21 H 1 .88 . . 1 . . . . . . . . 444 1 42 . 1 1 19 19 VAL HG22 H 1 .88 . . 1 . . . . . . . . 444 1 43 . 1 1 19 19 VAL HG23 H 1 .88 . . 1 . . . . . . . . 444 1 44 . 1 1 20 20 SER H H 1 9.15 . . 1 . . . . . . . . 444 1 45 . 1 1 20 20 SER HA H 1 4.7 . . 1 . . . . . . . . 444 1 46 . 1 1 20 20 SER HB2 H 1 4.38 . . 2 . . . . . . . . 444 1 47 . 1 1 20 20 SER HB3 H 1 4.08 . . 2 . . . . . . . . 444 1 48 . 1 1 21 21 ARG H H 1 9.13 . . 1 . . . . . . . . 444 1 49 . 1 1 21 21 ARG HA H 1 4.26 . . 1 . . . . . . . . 444 1 50 . 1 1 21 21 ARG HB2 H 1 1.93 . . 1 . . . . . . . . 444 1 51 . 1 1 21 21 ARG HB3 H 1 1.93 . . 1 . . . . . . . . 444 1 52 . 1 1 21 21 ARG HG2 H 1 1.76 . . 1 . . . . . . . . 444 1 53 . 1 1 21 21 ARG HG3 H 1 1.76 . . 1 . . . . . . . . 444 1 54 . 1 1 21 21 ARG HD2 H 1 3.26 . . 1 . . . . . . . . 444 1 55 . 1 1 21 21 ARG HD3 H 1 3.26 . . 1 . . . . . . . . 444 1 56 . 1 1 22 22 GLN H H 1 7.93 . . 1 . . . . . . . . 444 1 57 . 1 1 22 22 GLN HA H 1 4.42 . . 1 . . . . . . . . 444 1 58 . 1 1 22 22 GLN HB2 H 1 2.34 . . 2 . . . . . . . . 444 1 59 . 1 1 22 22 GLN HB3 H 1 1.93 . . 2 . . . . . . . . 444 1 60 . 1 1 22 22 GLN HG2 H 1 2.5 . . 2 . . . . . . . . 444 1 61 . 1 1 22 22 GLN HG3 H 1 2.39 . . 2 . . . . . . . . 444 1 62 . 1 1 23 23 GLY H H 1 8.19 . . 1 . . . . . . . . 444 1 63 . 1 1 23 23 GLY HA2 H 1 4.2 . . 2 . . . . . . . . 444 1 64 . 1 1 23 23 GLY HA3 H 1 3.64 . . 2 . . . . . . . . 444 1 65 . 1 1 24 24 LYS H H 1 7.67 . . 1 . . . . . . . . 444 1 66 . 1 1 24 24 LYS HA H 1 4.92 . . 1 . . . . . . . . 444 1 67 . 1 1 24 24 LYS HB2 H 1 1.93 . . 2 . . . . . . . . 444 1 68 . 1 1 24 24 LYS HB3 H 1 1.77 . . 2 . . . . . . . . 444 1 69 . 1 1 25 25 PRO HA H 1 5.04 . . 1 . . . . . . . . 444 1 70 . 1 1 25 25 PRO HB2 H 1 2.34 . . 2 . . . . . . . . 444 1 71 . 1 1 25 25 PRO HB3 H 1 1.95 . . 2 . . . . . . . . 444 1 72 . 1 1 25 25 PRO HG2 H 1 2.15 . . 2 . . . . . . . . 444 1 73 . 1 1 25 25 PRO HG3 H 1 2.04 . . 2 . . . . . . . . 444 1 74 . 1 1 25 25 PRO HD2 H 1 4.09 . . 2 . . . . . . . . 444 1 75 . 1 1 25 25 PRO HD3 H 1 3.78 . . 2 . . . . . . . . 444 1 76 . 1 1 26 26 TYR H H 1 8.37 . . 1 . . . . . . . . 444 1 77 . 1 1 26 26 TYR HA H 1 4.94 . . 1 . . . . . . . . 444 1 78 . 1 1 26 26 TYR HB2 H 1 2.98 . . 1 . . . . . . . . 444 1 79 . 1 1 26 26 TYR HB3 H 1 2.98 . . 1 . . . . . . . . 444 1 80 . 1 1 26 26 TYR HD1 H 1 6.89 . . 1 . . . . . . . . 444 1 81 . 1 1 26 26 TYR HD2 H 1 6.89 . . 1 . . . . . . . . 444 1 82 . 1 1 26 26 TYR HE1 H 1 6.48 . . 1 . . . . . . . . 444 1 83 . 1 1 26 26 TYR HE2 H 1 6.48 . . 1 . . . . . . . . 444 1 84 . 1 1 27 27 SER H H 1 8.39 . . 1 . . . . . . . . 444 1 85 . 1 1 27 27 SER HA H 1 4.97 . . 1 . . . . . . . . 444 1 86 . 1 1 27 27 SER HB2 H 1 3.69 . . 2 . . . . . . . . 444 1 87 . 1 1 27 27 SER HB3 H 1 3.63 . . 2 . . . . . . . . 444 1 88 . 1 1 28 28 LEU H H 1 8.94 . . 1 . . . . . . . . 444 1 89 . 1 1 28 28 LEU HA H 1 4.65 . . 1 . . . . . . . . 444 1 90 . 1 1 28 28 LEU HB2 H 1 1.6 . . 1 . . . . . . . . 444 1 91 . 1 1 28 28 LEU HB3 H 1 1.6 . . 1 . . . . . . . . 444 1 92 . 1 1 28 28 LEU HG H 1 1.6 . . 1 . . . . . . . . 444 1 93 . 1 1 28 28 LEU HD11 H 1 .9 . . 2 . . . . . . . . 444 1 94 . 1 1 28 28 LEU HD12 H 1 .9 . . 2 . . . . . . . . 444 1 95 . 1 1 28 28 LEU HD13 H 1 .9 . . 2 . . . . . . . . 444 1 96 . 1 1 28 28 LEU HD21 H 1 .85 . . 2 . . . . . . . . 444 1 97 . 1 1 28 28 LEU HD22 H 1 .85 . . 2 . . . . . . . . 444 1 98 . 1 1 28 28 LEU HD23 H 1 .85 . . 2 . . . . . . . . 444 1 99 . 1 1 29 29 ASN H H 1 9.06 . . 1 . . . . . . . . 444 1 100 . 1 1 29 29 ASN HA H 1 5.47 . . 1 . . . . . . . . 444 1 101 . 1 1 29 29 ASN HB2 H 1 2.48 . . 2 . . . . . . . . 444 1 102 . 1 1 29 29 ASN HB3 H 1 1.62 . . 2 . . . . . . . . 444 1 103 . 1 1 30 30 GLU H H 1 8.93 . . 1 . . . . . . . . 444 1 104 . 1 1 30 30 GLU HA H 1 5.54 . . 1 . . . . . . . . 444 1 105 . 1 1 30 30 GLU HB2 H 1 1.99 . . 1 . . . . . . . . 444 1 106 . 1 1 30 30 GLU HB3 H 1 1.99 . . 1 . . . . . . . . 444 1 107 . 1 1 31 31 GLN H H 1 9.31 . . 1 . . . . . . . . 444 1 108 . 1 1 31 31 GLN HA H 1 4.9 . . 1 . . . . . . . . 444 1 109 . 1 1 31 31 GLN HB2 H 1 2.03 . . 1 . . . . . . . . 444 1 110 . 1 1 31 31 GLN HB3 H 1 2.03 . . 1 . . . . . . . . 444 1 stop_ save_