PDB entry 3u1e

View 3u1e on RCSB PDB site
Description: Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor Chem 1387
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 2011-09-29, released 2012-10-03
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: 0.188
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: d3u1ea1, d3u1ea2
  • 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: d3u1eb3, d3u1eb4, d3u1eb5
  • Heterogens: GOL, DMS, MET, 387, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3u1eA (A:)
gpgsmkvekvffvtspiyyvnaaphighvystlitdvigryhrvkgervfaltgtdehgq
kvaeaakqkqvspydfttavagefkkcfeqmdysidyfirttneqhkavvkelwtkleqk
gdiylgryegwysisdesfltpqnitdgvdkdgnpckvslesghvvtwvseenymfrlsa
frerllewyhanpgcivpefrrreviravekglpdlsvsraratlhnwaipvpgnpdhcv
yvwldaltnyltgsrlrvdesgkevslvddfnelerfpadvhvigkdilkfhaiywpafl
lsaglplpkkivahgwwtkdrkkiskslgnvfdpvekaeefgydalkyfllresgfsddg
dysdknmiarlngeladtlgnlvmrctsakinvngewpspaayteedesliqlikdlpgt
adhyylipdiqkaiiavfdvlrainayvtdmapwklvktdperlrtvlyitlegvrvttl
llspilprksvvifdmlgvpevhrkgienfefgavppgtrlgpavegevlfskrstentk
st

    Sequence, based on observed residues (ATOM records): (download) 
    >3u1eA (A:)
vekvffvtspiyyvnaaphighvystlitdvigryhrvkgervfaltgtdehgqkvaeaa
kqkqvspydfttavagefkkcfeqmdysidyfirttneqhkavvkelwtkleqkgdiylg
ryegwysisdesfltpqnitdgvdkdgnpckvslesghvvtwvseenymfrlsafrerll
ewyhanpgcivpefrrreviravekglpdlsvsraratlhnwaipvpgnpdhcvyvwlda
ltnyltgsrlrvdesgkevslvddfnelerfpadvhvigkdilkfhaiywpafllsaglp
lpkkivahgwwtkdrkkiskslgnvfdpvekaeefgydalkyfllresgfsddgdysdkn
miarlngeladtlgnlvmrctsakinvngewpspaayteedesliqlikdlpgtadhyyl
ipdiqkaiiavfdvlrainayvtdmapwklvktdperlrtvlyitlegvrvttlllspil
prksvvifdmlgvpevhrkgienfefgavppgtrlgpavegevlfskrste

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >3u1eB (B:)
gpgsmkvekvffvtspiyyvnaaphighvystlitdvigryhrvkgervfaltgtdehgq
kvaeaakqkqvspydfttavagefkkcfeqmdysidyfirttneqhkavvkelwtkleqk
gdiylgryegwysisdesfltpqnitdgvdkdgnpckvslesghvvtwvseenymfrlsa
frerllewyhanpgcivpefrrreviravekglpdlsvsraratlhnwaipvpgnpdhcv
yvwldaltnyltgsrlrvdesgkevslvddfnelerfpadvhvigkdilkfhaiywpafl
lsaglplpkkivahgwwtkdrkkiskslgnvfdpvekaeefgydalkyfllresgfsddg
dysdknmiarlngeladtlgnlvmrctsakinvngewpspaayteedesliqlikdlpgt
adhyylipdiqkaiiavfdvlrainayvtdmapwklvktdperlrtvlyitlegvrvttl
llspilprksvvifdmlgvpevhrkgienfefgavppgtrlgpavegevlfskrstentk
st

    Sequence, based on observed residues (ATOM records): (download) 
    >3u1eB (B:)
gpgsmkvekvffvtspiyyvnaaphighvystlitdvigryhrvkgervfaltgtdehgq
kvaeaakqkqvspydfttavagefkkcfeqmdysidyfirttneqhkavvkelwtkleqk
gdiylgryegwysisdesfltpqnitdgvdkvslesghvvtwvseenymfrlsafrerll
ewyhanpgcivpefrrreviravekglpdlsvsraratlhnwaipvpgnpdhcvyvwlda
ltnyltgsrlrvdesgkevslvddfnelerfpadvhvigkdilkfhaiywpafllsaglp
lpkkivahgwwtkdrkkiskslgnvfdpvekaeefgydalkyfllresgfsddgdysdkn
miarlngeladtlgnlvmrctsakinvngewpspaayteedesliqlikdlpgtadhyyl
ipdiqkaiiavfdvlrainayvtdmapwklvktdperlrtvlyitlegvrvttlllspil
prksvvifdmlgvpevhrkgienfefgavppgtrlgpavegevlfskrst