data_16460 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The B12-Binding Subunit of Glutamate Mutase from Clostridium tetanomorphum Traps the Nucleotide Moiety of Coenzyme B12 ; _BMRB_accession_number 16460 _BMRB_flat_file_name bmr16460.str _Entry_type new _Submission_date 2009-08-19 _Accession_date 2009-08-19 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tollinger Martin . . 2 Eichmuller Chritian . . 3 Konrat Robert . . 4 Huhta Maria S. . 5 Marsh E. N.G. . 6 Krautler Bernhard . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count binding_constants 1 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-03-08 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _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 _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 11397096 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tollinger Martin . . 2 Eichmuller Chritian . . 3 Konrat Robert . . 4 Huhta Maria . . 5 Marsh E. N.G. . 6 Krautler Bernhard . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of Molecular Biology' _Journal_volume 309 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 777 _Page_last 791 _Year 2001 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'MutS nucleotide complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label MutS $MutS B12-nucleotide $B12-nucleotide stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_MutS _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MutS _Molecular_mass . _Mol_thiol_state 'not reported' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 136 _Mol_residue_sequence ; MEKKTIVLGVIGSDCHAVGN KILDHSFTNAGFNVVNIGVL SSQEDFINAAIETKADLICV SSLYGQGEIDCKGLREKCDE AGLKGIKLFVGGNIVVGKQN WPDVEQRFKAMGFDRVYPPG TSPETTIADMKEVLGV ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLU 3 LYS 4 LYS 5 THR 6 ILE 7 VAL 8 LEU 9 GLY 10 VAL 11 ILE 12 GLY 13 SER 14 ASP 15 CYS 16 HIS 17 ALA 18 VAL 19 GLY 20 ASN 21 LYS 22 ILE 23 LEU 24 ASP 25 HIS 26 SER 27 PHE 28 THR 29 ASN 30 ALA 31 GLY 32 PHE 33 ASN 34 VAL 35 VAL 36 ASN 37 ILE 38 GLY 39 VAL 40 LEU 41 SER 42 SER 43 GLN 44 GLU 45 ASP 46 PHE 47 ILE 48 ASN 49 ALA 50 ALA 51 ILE 52 GLU 53 THR 54 LYS 55 ALA 56 ASP 57 LEU 58 ILE 59 CYS 60 VAL 61 SER 62 SER 63 LEU 64 TYR 65 GLY 66 GLN 67 GLY 68 GLU 69 ILE 70 ASP 71 CYS 72 LYS 73 GLY 74 LEU 75 ARG 76 GLU 77 LYS 78 CYS 79 ASP 80 GLU 81 ALA 82 GLY 83 LEU 84 LYS 85 GLY 86 ILE 87 LYS 88 LEU 89 PHE 90 VAL 91 GLY 92 GLY 93 ASN 94 ILE 95 VAL 96 VAL 97 GLY 98 LYS 99 GLN 100 ASN 101 TRP 102 PRO 103 ASP 104 VAL 105 GLU 106 GLN 107 ARG 108 PHE 109 LYS 110 ALA 111 MET 112 GLY 113 PHE 114 ASP 115 ARG 116 VAL 117 TYR 118 PRO 119 PRO 120 GLY 121 THR 122 SER 123 PRO 124 GLU 125 THR 126 THR 127 ILE 128 ALA 129 ASP 130 MET 131 LYS 132 GLU 133 VAL 134 LEU 135 GLY 136 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-04-07 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1BE1 "Glutamate Mutase (B12-Binding Subunit), Nmr, Minimized Average Structure" 100.00 137 100.00 100.00 2.14e-93 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 2.14e-93 PDB 1ID8 "Nmr Structure Of Glutamate Mutase (B12-Binding Subunit) Complexed With The Vitamin B12 Nucleotide" 100.00 137 100.00 100.00 2.14e-93 EMBL CAA48567 "glutamate mutase component S [Clostridium tetanomorphum DSM 665]" 100.00 137 100.00 100.00 2.14e-93 EMBL CAA49908 "glutamate mutase [Clostridium tetanomorphum DSM 665]" 100.00 137 100.00 100.00 2.14e-93 GB KAJ52263 "methylaspartate mutase subunit S [Clostridium tetanomorphum DSM 665]" 100.00 137 100.00 100.00 2.14e-93 PRF 1907157B "Glu mutase:SUBUNIT=small" 100.00 137 100.00 100.00 2.14e-93 REF WP_027625115 "methylaspartate mutase [Clostridium lundense]" 100.00 137 97.79 100.00 2.73e-92 REF WP_035147515 "glutamate mutase sigma subunit [Clostridium tetanomorphum]" 100.00 137 100.00 100.00 2.14e-93 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 2.14e-93 stop_ save_ ############# # Ligands # ############# save_B12-nucleotide _Saveframe_category ligand _Mol_type non-polymer _Name_common B12-nucleotide _Molecular_mass . _Details . _Mol_thiol_state 'not present' _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $MutS 'Clostridium tetanomorphum' 1553 Bacteria . Clostridium tetanomorphum stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $MutS 'purified from the natural source' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'samples were taken with protein:ligand ratios from 1:0.5 to 1:32' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling 'phosphate buffer' 11 mM . . 'natural abundance' DTT 5 mM . . 'natural abundance' $MutS 0.8 mM . . [U-15N] $B12-nucleotide . mM 0.4 25.6 'natural abundance' D2O 10 % . . 'natural abundance' H2O 90 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_Molmol _Saveframe_category software _Name Molmol _Version . loop_ _Vendor _Address _Electronic_address 'Koradi, Billeter and Wuthrich' . . stop_ loop_ _Task visualization stop_ _Details . save_ save_X-PLOR _Saveframe_category software _Name X-PLOR _Version 3.1 loop_ _Vendor _Address _Electronic_address Brunger . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UnityPlus _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 299 . K pH 6.0 . pH pressure 1 . atm stop_ save_