PDB entry 4mw6

View 4mw6 on RCSB PDB site
Description: Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-(3-{[2-(benzyloxy)-5-chloro-3-(prop-2-en-1-yl)benzyl]amino}propyl)-3-thiophen-3-ylurea (Chem 1476)
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: 2.56 Å
R-factor: 0.203
AEROSPACI score: 0.25 (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: d4mw6a1, d4mw6a2
  • 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: d4mw6b1, d4mw6b2, d4mw6b3
  • Heterogens: GOL, DMS, MET, 2EE, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4mw6A (A:)
    gpgsmkvekvffvtspiyyvnaaphighvystlitdvigryhrvkgervfaltgtdehgq
    kvaeaakqkqvspydfttavagefkkcfeqmdysidyfirttneqhkavvkelwtkleqk
    gdiylgryegwysisdesfltpqnitdgvdkdgnpckvslesghvvtwvseenymfrlsa
    frerllewyhanpgcivpefrrreviravekglpdlsvsraratlhnwaipvpgnpdhcv
    yvwldaltnyltgsrlrvdesgkevslvddfnelerfpadvhvigkdilkfhaiywpafl
    lsaglplpkkivahgwwtkdrkkiskslgnvfdpvekaeefgydalkyfllresgfsddg
    dysdknmiarlngeladtlgnlvmrctsakinvngewpspaayteedesliqlikdlpgt
    adhyylipdiqkaiiavfdvlrainayvtdmapwklvktdperlrtvlyitlegvrvttl
    llspilprksvvifdmlgvpevhrkgienfefgavppgtrlgpavegevlfskrstentk
    st
    

    Sequence, based on observed residues (ATOM records): (download)
    >4mw6A (A:)
    vekvffvtspiyyvnaaphighvystlitdvigryhrvkgervfaltgtdehgqkvaeaa
    kqkqvspydfttavagefkkcfeqmdysidyfirttneqhkavvkelwtkleqkgdiylg
    ryegwysisdesfltpqnitdgvdkdgnpckvslesghvvtwvseenymfrlsafrerll
    ewyhanpgcivpefrrreviravekglpdlsvsraratlhnwaipvpgnpdhcvyvwlda
    ltnyltgsrlrvdesgkevslvddfnelerfpadvhvigkdilkfhaiywpafllsaglp
    lpkkivahgwwtkdrkkiskslgnvfdpvekaeefgydalkyfllresgfsddgdysdkn
    miarlngeladtlgnlvmrctsakinvngewpspaayteedesliqlikdlpgtadhyyl
    ipdiqkaiiavfdvlrainayvtdmapwklvktdperlrtvlyitlegvrvttlllspil
    prksvvifdmlgvpevhrkgienfefgavppgtrlgpavegevlfskrste
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4mw6B (B:)
    gpgsmkvekvffvtspiyyvnaaphighvystlitdvigryhrvkgervfaltgtdehgq
    kvaeaakqkqvspydfttavagefkkcfeqmdysidyfirttneqhkavvkelwtkleqk
    gdiylgryegwysisdesfltpqnitdgvdkdgnpckvslesghvvtwvseenymfrlsa
    frerllewyhanpgcivpefrrreviravekglpdlsvsraratlhnwaipvpgnpdhcv
    yvwldaltnyltgsrlrvdesgkevslvddfnelerfpadvhvigkdilkfhaiywpafl
    lsaglplpkkivahgwwtkdrkkiskslgnvfdpvekaeefgydalkyfllresgfsddg
    dysdknmiarlngeladtlgnlvmrctsakinvngewpspaayteedesliqlikdlpgt
    adhyylipdiqkaiiavfdvlrainayvtdmapwklvktdperlrtvlyitlegvrvttl
    llspilprksvvifdmlgvpevhrkgienfefgavppgtrlgpavegevlfskrstentk
    st
    

    Sequence, based on observed residues (ATOM records): (download)
    >4mw6B (B:)
    gpgsmkvekvffvtspiyyvnaaphighvystlitdvigryhrvkgervfaltgtdehgq
    kvaeaakqkqvspydfttavagefkkcfeqmdysidyfirttneqhkavvkelwtkleqk
    gdiylgryegwysisdesfltpqnitdkvslesghvvtwvseenymfrlsafrerllewy
    hanpgcivpefrrreviravekglpdlsvsraratlhnwaipvpgnpdhcvyvwldaltn
    yltgsrlrvdesgkevslvddfnelerfpadvhvigkdilkfhaiywpafllsaglplpk
    kivahgwwtkdrkkiskslgnvfdpvekaeefgydalkyfllresgfsddgdysdknmia
    rlngeladtlgnlvmrctsakinvngewpspaayteedesliqlikdlpgtadhyylipd
    iqkaiiavfdvlrainayvtdmapwklvktdperlrtvlyitlegvrvttlllspilprk
    svvifdmlgvpevhrkgienfefgavppgtrlgpavegevlfskrst