data_16460 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16460 _Entry.Title ; The B12-Binding Subunit of Glutamate Mutase from Clostridium tetanomorphum Traps the Nucleotide Moiety of Coenzyme B12 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-08-19 _Entry.Accession_date 2009-08-19 _Entry.Last_release_date 2010-03-08 _Entry.Original_release_date 2010-03-08 _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 Martin Tollinger . . . 16460 2 Chritian Eichmuller . . . 16460 3 Robert Konrat . . . 16460 4 Maria Huhta . S. . 16460 5 E. Marsh . N.G. . 16460 6 Bernhard Krautler . . . 16460 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID binding_constants 1 16460 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'binding constants' 1 16460 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 . . 2010-03-08 2009-08-19 original author . 16460 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16460 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 11397096 _Citation.Full_citation . _Citation.Title 'The B(12)-binding subunit of glutamate mutase from Clostridium tetanomorphum traps the nucleotide moiety of coenzyme B(12).Moiety of Coenzyme B12' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of Molecular Biology' _Citation.Journal_volume 309 _Citation.Journal_issue 1 _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 777 _Citation.Page_last 791 _Citation.Year 2001 _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 Martin Tollinger . . . 16460 1 2 Chritian Eichmuller . . . 16460 1 3 Robert Konrat . . . 16460 1 4 Maria Huhta . . . 16460 1 5 E. Marsh . N.G. . 16460 1 6 Bernhard Krautler . . . 16460 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16460 _Assembly.ID 1 _Assembly.Name 'MutS nucleotide 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 MutS 1 $MutS A . yes native no no . . . 16460 1 2 B12-nucleotide 2 $B12-nucleotide B . yes native no no . . . 16460 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1id8 . . . . . . 16460 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MutS _Entity.Sf_category entity _Entity.Sf_framecode MutS _Entity.Entry_ID 16460 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MutS _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 ; MEKKTIVLGVIGSDCHAVGN KILDHSFTNAGFNVVNIGVL SSQEDFINAAIETKADLICV SSLYGQGEIDCKGLREKCDE AGLKGIKLFVGGNIVVGKQN WPDVEQRFKAMGFDRVYPPG TSPETTIADMKEVLGV ; _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 . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 136 _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 PDB 1BE1 . "Glutamate Mutase (B12-Binding Subunit), Nmr, Minimized Average Structure" . . . . . 100.00 137 100.00 100.00 3.09e-93 . . . . 16460 1 2 no PDB 1FMF . "Refined Solution Structure Of The (13c,15n-Labeled) B12- Binding Subunit Of Glutamate Mutase From Clostridium Tetanomorphum" . . . . . 100.00 137 100.00 100.00 3.09e-93 . . . . 16460 1 3 no PDB 1ID8 . "Nmr Structure Of Glutamate Mutase (B12-Binding Subunit) Complexed With The Vitamin B12 Nucleotide" . . . . . 100.00 137 100.00 100.00 3.09e-93 . . . . 16460 1 4 no EMBL CAA48567 . "glutamate mutase component S [Clostridium tetanomorphum DSM 665]" . . . . . 100.00 137 100.00 100.00 3.09e-93 . . . . 16460 1 5 no EMBL CAA49908 . "glutamate mutase [Clostridium tetanomorphum DSM 665]" . . . . . 100.00 137 100.00 100.00 3.09e-93 . . . . 16460 1 6 no GB KAJ52263 . "methylaspartate mutase subunit S [Clostridium tetanomorphum DSM 665]" . . . . . 100.00 137 100.00 100.00 3.09e-93 . . . . 16460 1 7 no PRF 1907157B . "Glu mutase:SUBUNIT=small" . . . . . 100.00 137 100.00 100.00 3.09e-93 . . . . 16460 1 8 no REF WP_027625115 . "methylaspartate mutase [Clostridium lundense]" . . . . . 100.00 137 97.79 100.00 3.94e-92 . . . . 16460 1 9 no REF WP_035147515 . "glutamate mutase sigma subunit [Clostridium tetanomorphum]" . . . . . 100.00 137 100.00 100.00 3.09e-93 . . . . 16460 1 10 no SP Q05488 . "RecName: Full=Glutamate mutase sigma subunit; AltName: Full=Glutamate mutase S chain; AltName: Full=Glutamate mutase small subu" . . . . . 100.00 137 100.00 100.00 3.09e-93 . . . . 16460 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 . 16460 1 2 . GLU . 16460 1 3 . LYS . 16460 1 4 . LYS . 16460 1 5 . THR . 16460 1 6 . ILE . 16460 1 7 . VAL . 16460 1 8 . LEU . 16460 1 9 . GLY . 16460 1 10 . VAL . 16460 1 11 . ILE . 16460 1 12 . GLY . 16460 1 13 . SER . 16460 1 14 . ASP . 16460 1 15 . CYS . 16460 1 16 . HIS . 16460 1 17 . ALA . 16460 1 18 . VAL . 16460 1 19 . GLY . 16460 1 20 . ASN . 16460 1 21 . LYS . 16460 1 22 . ILE . 16460 1 23 . LEU . 16460 1 24 . ASP . 16460 1 25 . HIS . 16460 1 26 . SER . 16460 1 27 . PHE . 16460 1 28 . THR . 16460 1 29 . ASN . 16460 1 30 . ALA . 16460 1 31 . GLY . 16460 1 32 . PHE . 16460 1 33 . ASN . 16460 1 34 . VAL . 16460 1 35 . VAL . 16460 1 36 . ASN . 16460 1 37 . ILE . 16460 1 38 . GLY . 16460 1 39 . VAL . 16460 1 40 . LEU . 16460 1 41 . SER . 16460 1 42 . SER . 16460 1 43 . GLN . 16460 1 44 . GLU . 16460 1 45 . ASP . 16460 1 46 . PHE . 16460 1 47 . ILE . 16460 1 48 . ASN . 16460 1 49 . ALA . 16460 1 50 . ALA . 16460 1 51 . ILE . 16460 1 52 . GLU . 16460 1 53 . THR . 16460 1 54 . LYS . 16460 1 55 . ALA . 16460 1 56 . ASP . 16460 1 57 . LEU . 16460 1 58 . ILE . 16460 1 59 . CYS . 16460 1 60 . VAL . 16460 1 61 . SER . 16460 1 62 . SER . 16460 1 63 . LEU . 16460 1 64 . TYR . 16460 1 65 . GLY . 16460 1 66 . GLN . 16460 1 67 . GLY . 16460 1 68 . GLU . 16460 1 69 . ILE . 16460 1 70 . ASP . 16460 1 71 . CYS . 16460 1 72 . LYS . 16460 1 73 . GLY . 16460 1 74 . LEU . 16460 1 75 . ARG . 16460 1 76 . GLU . 16460 1 77 . LYS . 16460 1 78 . CYS . 16460 1 79 . ASP . 16460 1 80 . GLU . 16460 1 81 . ALA . 16460 1 82 . GLY . 16460 1 83 . LEU . 16460 1 84 . LYS . 16460 1 85 . GLY . 16460 1 86 . ILE . 16460 1 87 . LYS . 16460 1 88 . LEU . 16460 1 89 . PHE . 16460 1 90 . VAL . 16460 1 91 . GLY . 16460 1 92 . GLY . 16460 1 93 . ASN . 16460 1 94 . ILE . 16460 1 95 . VAL . 16460 1 96 . VAL . 16460 1 97 . GLY . 16460 1 98 . LYS . 16460 1 99 . GLN . 16460 1 100 . ASN . 16460 1 101 . TRP . 16460 1 102 . PRO . 16460 1 103 . ASP . 16460 1 104 . VAL . 16460 1 105 . GLU . 16460 1 106 . GLN . 16460 1 107 . ARG . 16460 1 108 . PHE . 16460 1 109 . LYS . 16460 1 110 . ALA . 16460 1 111 . MET . 16460 1 112 . GLY . 16460 1 113 . PHE . 16460 1 114 . ASP . 16460 1 115 . ARG . 16460 1 116 . VAL . 16460 1 117 . TYR . 16460 1 118 . PRO . 16460 1 119 . PRO . 16460 1 120 . GLY . 16460 1 121 . THR . 16460 1 122 . SER . 16460 1 123 . PRO . 16460 1 124 . GLU . 16460 1 125 . THR . 16460 1 126 . THR . 16460 1 127 . ILE . 16460 1 128 . ALA . 16460 1 129 . ASP . 16460 1 130 . MET . 16460 1 131 . LYS . 16460 1 132 . GLU . 16460 1 133 . VAL . 16460 1 134 . LEU . 16460 1 135 . GLY . 16460 1 136 . VAL . 16460 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 16460 1 . GLU 2 2 16460 1 . LYS 3 3 16460 1 . LYS 4 4 16460 1 . THR 5 5 16460 1 . ILE 6 6 16460 1 . VAL 7 7 16460 1 . LEU 8 8 16460 1 . GLY 9 9 16460 1 . VAL 10 10 16460 1 . ILE 11 11 16460 1 . GLY 12 12 16460 1 . SER 13 13 16460 1 . ASP 14 14 16460 1 . CYS 15 15 16460 1 . HIS 16 16 16460 1 . ALA 17 17 16460 1 . VAL 18 18 16460 1 . GLY 19 19 16460 1 . ASN 20 20 16460 1 . LYS 21 21 16460 1 . ILE 22 22 16460 1 . LEU 23 23 16460 1 . ASP 24 24 16460 1 . HIS 25 25 16460 1 . SER 26 26 16460 1 . PHE 27 27 16460 1 . THR 28 28 16460 1 . ASN 29 29 16460 1 . ALA 30 30 16460 1 . GLY 31 31 16460 1 . PHE 32 32 16460 1 . ASN 33 33 16460 1 . VAL 34 34 16460 1 . VAL 35 35 16460 1 . ASN 36 36 16460 1 . ILE 37 37 16460 1 . GLY 38 38 16460 1 . VAL 39 39 16460 1 . LEU 40 40 16460 1 . SER 41 41 16460 1 . SER 42 42 16460 1 . GLN 43 43 16460 1 . GLU 44 44 16460 1 . ASP 45 45 16460 1 . PHE 46 46 16460 1 . ILE 47 47 16460 1 . ASN 48 48 16460 1 . ALA 49 49 16460 1 . ALA 50 50 16460 1 . ILE 51 51 16460 1 . GLU 52 52 16460 1 . THR 53 53 16460 1 . LYS 54 54 16460 1 . ALA 55 55 16460 1 . ASP 56 56 16460 1 . LEU 57 57 16460 1 . ILE 58 58 16460 1 . CYS 59 59 16460 1 . VAL 60 60 16460 1 . SER 61 61 16460 1 . SER 62 62 16460 1 . LEU 63 63 16460 1 . TYR 64 64 16460 1 . GLY 65 65 16460 1 . GLN 66 66 16460 1 . GLY 67 67 16460 1 . GLU 68 68 16460 1 . ILE 69 69 16460 1 . ASP 70 70 16460 1 . CYS 71 71 16460 1 . LYS 72 72 16460 1 . GLY 73 73 16460 1 . LEU 74 74 16460 1 . ARG 75 75 16460 1 . GLU 76 76 16460 1 . LYS 77 77 16460 1 . CYS 78 78 16460 1 . ASP 79 79 16460 1 . GLU 80 80 16460 1 . ALA 81 81 16460 1 . GLY 82 82 16460 1 . LEU 83 83 16460 1 . LYS 84 84 16460 1 . GLY 85 85 16460 1 . ILE 86 86 16460 1 . LYS 87 87 16460 1 . LEU 88 88 16460 1 . PHE 89 89 16460 1 . VAL 90 90 16460 1 . GLY 91 91 16460 1 . GLY 92 92 16460 1 . ASN 93 93 16460 1 . ILE 94 94 16460 1 . VAL 95 95 16460 1 . VAL 96 96 16460 1 . GLY 97 97 16460 1 . LYS 98 98 16460 1 . GLN 99 99 16460 1 . ASN 100 100 16460 1 . TRP 101 101 16460 1 . PRO 102 102 16460 1 . ASP 103 103 16460 1 . VAL 104 104 16460 1 . GLU 105 105 16460 1 . GLN 106 106 16460 1 . ARG 107 107 16460 1 . PHE 108 108 16460 1 . LYS 109 109 16460 1 . ALA 110 110 16460 1 . MET 111 111 16460 1 . GLY 112 112 16460 1 . PHE 113 113 16460 1 . ASP 114 114 16460 1 . ARG 115 115 16460 1 . VAL 116 116 16460 1 . TYR 117 117 16460 1 . PRO 118 118 16460 1 . PRO 119 119 16460 1 . GLY 120 120 16460 1 . THR 121 121 16460 1 . SER 122 122 16460 1 . PRO 123 123 16460 1 . GLU 124 124 16460 1 . THR 125 125 16460 1 . THR 126 126 16460 1 . ILE 127 127 16460 1 . ALA 128 128 16460 1 . ASP 129 129 16460 1 . MET 130 130 16460 1 . LYS 131 131 16460 1 . GLU 132 132 16460 1 . VAL 133 133 16460 1 . LEU 134 134 16460 1 . GLY 135 135 16460 1 . VAL 136 136 16460 1 stop_ save_ save_B12-nucleotide _Entity.Sf_category entity _Entity.Sf_framecode B12-nucleotide _Entity.Entry_ID 16460 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name B12-nucleotide _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 no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label $chem_comp_B12-nucleotide _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _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 . 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 16460 _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 $MutS . 1553 organism . 'Clostridium tetanomorphum' 'Clostridium tetanomorphum' . . Bacteria . Clostridium tetanomorphum . . . . . . . . . . . . . . . . . . . . . 16460 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 16460 _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 $MutS . 'purified from the natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 16460 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_B12-nucleotide _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_B12-nucleotide _Chem_comp.Entry_ID 16460 _Chem_comp.ID . _Chem_comp.Provenance . _Chem_comp.Name B12-nucleotide _Chem_comp.Type . _Chem_comp.BMRB_code . _Chem_comp.PDB_code . _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _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 1+ _Chem_comp.Paramagnetic no _Chem_comp.Aromatic yes _Chem_comp.Formula 'C16 H26 N3 O7 P' _Chem_comp.Formula_weight . _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 . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details 'derived from Cyanocobalamin' _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16460 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'samples were taken with protein:ligand ratios from 1:0.5 to 1:32' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 'phosphate buffer' 'natural abundance' . . . . . . 11 . . mM . . . . 16460 1 2 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 16460 1 3 MutS [U-15N] . . 1 $MutS . . 0.8 . . mM . . . . 16460 1 4 B12-nucleotide 'natural abundance' . . 2 $B12-nucleotide . . . 0.4 25.6 mM . . . . 16460 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16460 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16460 1 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 16460 _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 6.0 . pH 16460 1 pressure 1 . atm 16460 1 temperature 299 . K 16460 1 stop_ save_ ############################ # Computer software used # ############################ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 16460 _Software.ID 1 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 16460 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID visualization 16460 1 stop_ save_ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 16460 _Software.ID 2 _Software.Name X-PLOR _Software.Version 3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Brunger . . 16460 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16460 2 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 16460 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityPlus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 16460 _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 Varian UnityPlus . 500 . . . 16460 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 16460 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16460 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 16460 _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 '2D 1H-15N HSQC' 1 $sample_1 isotropic 16460 1 stop_ loop_ _Binding_software.Software_ID _Binding_software.Software_label _Binding_software.Method_ID _Binding_software.Method_label _Binding_software.Entry_ID _Binding_software.Binding_value_list_ID 2 $X-PLOR . . 16460 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 1 . . . . . . . . . . . 'chemical shifts' Kd 5.6 0.7 mM 16460 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 MutS 1 $MutS 16460 1 1 1 2 B12-nucleotide 2 $B12-nucleotide 16460 1 stop_ save_