PDB entry 3tun

View 3tun on RCSB PDB site
Description: Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor Chem 1356
Class: ligase/ligase inhibitor
Keywords: aminoacyl-tRNA synthetase, aaRS, MetRS, parasite, protein-inhibitor complex, translation, nucleotide binding, Rossmann fold, ATP binding, tRNA binding, LIGASE-LIGASE INHIBITOR complex
Deposited on 2011-09-16, released 2012-07-04
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: 2.55 Å
R-factor: 0.191
AEROSPACI score: 0.26 (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: d3tuna1, d3tuna2
  • 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)
      • conflict (77)
      • engineered mutation (220-222)
      • conflict (267)
      • conflict (271)
      • expression tag (0-4)
    Domains in SCOPe 2.07: d3tunb3, d3tunb4, d3tunb5
  • Heterogens: GOL, DMS, MET, C13, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3tunA (A:)
    gpgsmkvekvffvtspiyyvnaaphighvystlitdvigryhrvkgervfaltgtdehgq
    kvaeaakqkqvspydfttavagefkkcfeqmdysidyfirttneqhkavvkelwtkleqk
    gdiylgryegwysisdesfltpqnitdgvdkdgnpckvslesghvvtwvseenymfrlsa
    frerllewyhanpgcivpefrrreviravekglpdlsvsraratlhnwaipvpgnpdhcv
    yvwldaltnyltgsrlrvdesgkevslvddfnelerfpadvhvigkdilkfhaiywpafl
    lsaglplpkkivahgwwtkdrkkiskslgnvfdpvekaeefgydalkyfllresgfsddg
    dysdknmiarlngeladtlgnlvmrctsakinvngewpspaayteedesliqlikdlpgt
    adhyylipdiqkaiiavfdvlrainayvtdmapwklvktdperlrtvlyitlegvrvttl
    llspilprksvvifdmlgvpevhrkgienfefgavppgtrlgpavegevlfskrstentk
    st
    

    Sequence, based on observed residues (ATOM records): (download)
    >3tunA (A:)
    vekvffvtspiyyvnaaphighvystlitdvigryhrvkgervfaltgtdehgqkvaeaa
    kqkqvspydfttavagefkkcfeqmdysidyfirttneqhkavvkelwtkleqkgdiylg
    ryegwysisdesfltpqnitdgvdkdgnpckvslesghvvtwvseenymfrlsafrerll
    ewyhanpgcivpefrrreviravekglpdlsvsraratlhnwaipvpgnpdhcvyvwlda
    ltnyltgsrlrvdesgkevslvddfnelerfpadvhvigkdilkfhaiywpafllsaglp
    lpkkivahgwwtkdrkkiskslgnvfdpvekaeefgydalkyfllresgfsddgdysdkn
    miarlngeladtlgnlvmrctsakinvngewpspaayteedesliqlikdlpgtadhyyl
    ipdiqkaiiavfdvlrainayvtdmapwklvktdperlrtvlyitlegvrvttlllspil
    prksvvifdmlgvpevhrkgienfefgavppgtrlgpavegevlfskrste
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3tunB (B:)
    gpgsmkvekvffvtspiyyvnaaphighvystlitdvigryhrvkgervfaltgtdehgq
    kvaeaakqkqvspydfttavagefkkcfeqmdysidyfirttneqhkavvkelwtkleqk
    gdiylgryegwysisdesfltpqnitdgvdkdgnpckvslesghvvtwvseenymfrlsa
    frerllewyhanpgcivpefrrreviravekglpdlsvsraratlhnwaipvpgnpdhcv
    yvwldaltnyltgsrlrvdesgkevslvddfnelerfpadvhvigkdilkfhaiywpafl
    lsaglplpkkivahgwwtkdrkkiskslgnvfdpvekaeefgydalkyfllresgfsddg
    dysdknmiarlngeladtlgnlvmrctsakinvngewpspaayteedesliqlikdlpgt
    adhyylipdiqkaiiavfdvlrainayvtdmapwklvktdperlrtvlyitlegvrvttl
    llspilprksvvifdmlgvpevhrkgienfefgavppgtrlgpavegevlfskrstentk
    st
    

    Sequence, based on observed residues (ATOM records): (download)
    >3tunB (B:)
    gpgsmkvekvffvtspiyyvnaaphighvystlitdvigryhrvkgervfaltgtdehgq
    kvaeaakqkqvspydfttavagefkkcfeqmdysidyfirttneqhkavvkelwtkleqk
    gdiylgryegwysisdesfltpqnitdgvdnpckvslesghvvtwvseenymfrlsafre
    rllewyhanpgcivpefrrreviravekglpdlsvsraratlhnwaipvpgnpdhcvyvw
    ldaltnyltgsrlrvdesgkevslvddfnelerfpadvhvigkdilkfhaiywpafllsa
    glplpkkivahgwwtkdrkkiskslgnvfdpvekaeefgydalkyfllresgfsddgdys
    dknmiarlngeladtlgnlvmrctsakinvngewpspaayteedesliqlikdlpgtadh
    yylipdiqkaiiavfdvlrainayvtdmapwklvktdperlrtvlyitlegvrvttllls
    pilprksvvifdmlgvpevhrkgienfefgavppgtrlgpavegevlfskrst