PDB entry 4mwe

View 4mwe on RCSB PDB site
Description: Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-(3-{[5-chloro-3-(prop-2-en-1-yl)-2-(prop-2-en-1-yloxy)benzyl]amino}propyl)-3-thiophen-3-ylurea (Chem 1475)
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 2.08 freeze date was dated 2014-04-30, with a file datestamp of 2014-04-25.
Experiment type: XRAY
Resolution: 2.45 Å
R-factor: 0.205
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 (5-End)
      • conflict (77)
      • engineered mutation (220-222)
      • conflict (267)
      • conflict (271)
    Domains in SCOPe 2.08: d4mwea1, d4mwea2
  • 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 2.08: d4mweb1, d4mweb2, d4mweb3
  • Heterogens: GOL, DMS, SO4, MET, 2EN, HOH

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download) 
    >4mweA (A:)
kvekvffvtspiyyvnaaphighvystlitdvigryhrvkgervfaltgtdehgqkvaea
akqkqvspydfttavagefkkcfeqmdysidyfirttneqhkavvkelwtkleqkgdiyl
gryegwysisdesfltpqnitdgvdkdgnpckvslesghvvtwvseenymfrlsafrerl
lewyhanpgcivpefrrreviravekglpdlsvsraratlhnwaipvpgnpdhcvyvwld
altnyltgsrlrvdesgkevslvddfnelerfpadvhvigkdilkfhaiywpafllsagl
plpkkivahgwwtkdslgnvfdpvekaeefgydalkyfllresgfsddgdysdknmiarl
ngeladtlgnlvmrctsakinvngewpspaayteedesliqlikdlpgtadhyylipdiq
kaiiavfdvlrainayvtdmapwklvktdperlrtvlyitlegvrvttlllspilprksv
vifdmlgvpevhrkgienfefgavppgtrlgpavegevlfskrste

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

    Sequence, based on observed residues (ATOM records): (download) 
    >4mweB (B:)
gpgsmkvekvffvtspiyyvnaaphighvystlitdvigryhrvkgervfaltgtdehgq
kvaeaakqkqvspydfttavagefkkcfeqmdysidyfirttneqhkavvkelwtkleqk
gdiylgryegwysisdesfltpqnitdpckvslesghvvtwvseenymfrlsafrerlle
wyhanpgcivpefrrreviravekglpdlsvsraratlhnwaipvpgnpdhcvyvwldal
tnyltgsrlrvdesgkevslvddfnelerfpadvhvigkdilkfhaiywpafllsaglpl
pkkivahgwwtkdrkkiskslgnvfdpvekaeefgydalkyfllresgfsddgdysdknm
iarlngeladtlgnlvmrctsakinvngewpspaayteedesliqlikdlpgtadhyyli
pdiqkaiiavfdvlrainayvtdmapwklvktdperlrtvlyitlegvrvttlllspilp
rksvvifdmlgvpevhrkgienfefgavppgtrlgpavegevlfskrst