PDB entry 4mwb

View 4mwb on RCSB PDB site
Description: Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-(3-{[(2,5-dichlorothiophen-3-yl)methyl]amino}propyl)-3-thiophen-3-ylurea (Chem 1509)
Class: ligase/ligase inhibitor
Keywords: aminoacyl-tRNA synthetase, aaRS, MetRS, parasite, protein-inhibitor complex, Rossmann fold, translation, nucleotide binding, LIGASE-LIGASE INHIBITOR complex
Deposited on 2013-09-24, released 2014-04-30
The last revision prior to the SCOPe 2.07 freeze date was dated 2014-04-30, with a file datestamp of 2014-04-25.
Experiment type: XRAY
Resolution: 2.31 Å
R-factor: 0.181
AEROSPACI score: 0.31 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Methionyl-tRNA synthetase
    Species: Trypanosoma brucei [TaxId:5691]
    Gene: Tb10.70.6470
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q38C91
      • conflict (77)
      • engineered mutation (220-222)
      • conflict (267)
      • conflict (271)
    Domains in SCOPe 2.07: d4mwba1, d4mwba2
  • Chain 'B':
    Compound: Methionyl-tRNA synthetase
    Species: Trypanosoma brucei [TaxId:5691]
    Gene: Tb10.70.6470
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q38C91 (5-End)
      • expression tag (0-4)
      • conflict (77)
      • engineered mutation (220-222)
      • conflict (267)
      • conflict (271)
    Domains in SCOPe 2.07: d4mwbb1, d4mwbb2, d4mwbb3
  • Heterogens: GOL, DMS, MET, SO4, 2EK, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4mwbA (A:)
    gpgsmkvekvffvtspiyyvnaaphighvystlitdvigryhrvkgervfaltgtdehgq
    kvaeaakqkqvspydfttavagefkkcfeqmdysidyfirttneqhkavvkelwtkleqk
    gdiylgryegwysisdesfltpqnitdgvdkdgnpckvslesghvvtwvseenymfrlsa
    frerllewyhanpgcivpefrrreviravekglpdlsvsraratlhnwaipvpgnpdhcv
    yvwldaltnyltgsrlrvdesgkevslvddfnelerfpadvhvigkdilkfhaiywpafl
    lsaglplpkkivahgwwtkdrkkiskslgnvfdpvekaeefgydalkyfllresgfsddg
    dysdknmiarlngeladtlgnlvmrctsakinvngewpspaayteedesliqlikdlpgt
    adhyylipdiqkaiiavfdvlrainayvtdmapwklvktdperlrtvlyitlegvrvttl
    llspilprksvvifdmlgvpevhrkgienfefgavppgtrlgpavegevlfskrstentk
    st
    

    Sequence, based on observed residues (ATOM records): (download)
    >4mwbA (A:)
    vekvffvtspiyyvnaaphighvystlitdvigryhrvkgervfaltgtdehgqkvaeaa
    kqkqvspydfttavagefkkcfeqmdysidyfirttneqhkavvkelwtkleqkgdiylg
    ryegwysisdesfltpqnitdgvdkdgnpckvslesghvvtwvseenymfrlsafrerll
    ewyhanpgcivpefrrreviravekglpdlsvsraratlhnwaipvpgnpdhcvyvwlda
    ltnyltgsrlrvdesgkevslvddfnelerfpadvhvigkdilkfhaiywpafllsaglp
    lpkkivahgwwtkdrkkiskslgnvfdpvekaeefgydalkyfllresgfsddgdysdkn
    miarlngeladtlgnlvmrctsakinvngewpspaayteedesliqlikdlpgtadhyyl
    ipdiqkaiiavfdvlrainayvtdmapwklvktdperlrtvlyitlegvrvttlllspil
    prksvvifdmlgvpevhrkgienfefgavppgtrlgpavegevlfskrste
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4mwbB (B:)
    gpgsmkvekvffvtspiyyvnaaphighvystlitdvigryhrvkgervfaltgtdehgq
    kvaeaakqkqvspydfttavagefkkcfeqmdysidyfirttneqhkavvkelwtkleqk
    gdiylgryegwysisdesfltpqnitdgvdkdgnpckvslesghvvtwvseenymfrlsa
    frerllewyhanpgcivpefrrreviravekglpdlsvsraratlhnwaipvpgnpdhcv
    yvwldaltnyltgsrlrvdesgkevslvddfnelerfpadvhvigkdilkfhaiywpafl
    lsaglplpkkivahgwwtkdrkkiskslgnvfdpvekaeefgydalkyfllresgfsddg
    dysdknmiarlngeladtlgnlvmrctsakinvngewpspaayteedesliqlikdlpgt
    adhyylipdiqkaiiavfdvlrainayvtdmapwklvktdperlrtvlyitlegvrvttl
    llspilprksvvifdmlgvpevhrkgienfefgavppgtrlgpavegevlfskrstentk
    st
    

    Sequence, based on observed residues (ATOM records): (download)
    >4mwbB (B:)
    gpgsmkvekvffvtspiyyvnaaphighvystlitdvigryhrvkgervfaltgtdehgq
    kvaeaakqkqvspydfttavagefkkcfeqmdysidyfirttneqhkavvkelwtkleqk
    gdiylgryegwysisdesfltpqnitdgvdnpckvslesghvvtwvseenymfrlsafre
    rllewyhanpgcivpefrrreviravekglpdlsvsraratlhnwaipvpgnpdhcvyvw
    ldaltnyltgsrlrvdesgkevslvddfnelerfpadvhvigkdilkfhaiywpafllsa
    glplpkkivahgwwtkdrkkiskslgnvfdpvekaeefgydalkyfllresgfsddgdys
    dknmiarlngeladtlgnlvmrctsakinvngewpspaayteedesliqlikdlpgtadh
    yylipdiqkaiiavfdvlrainayvtdmapwklvktdperlrtvlyitlegvrvttllls
    pilprksvvifdmlgvpevhrkgienfefgavppgtrlgpavegevlfskrst