PDB entry 4mw1

View 4mw1 on RCSB PDB site
Description: Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3-chloro-5-methoxybenzyl)amino]propyl}-3-thiophen-3-ylurea (Chem 1444)
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: 2.49 Å
R-factor: 0.193
AEROSPACI score: 0.27 (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 2.08: d4mw1a1, d4mw1a2
  • 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: d4mw1b1, d4mw1b2, d4mw1b3
  • Heterogens: GOL, DMS, MET, 44F, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4mw1A (A:)
gpgsmkvekvffvtspiyyvnaaphighvystlitdvigryhrvkgervfaltgtdehgq
kvaeaakqkqvspydfttavagefkkcfeqmdysidyfirttneqhkavvkelwtkleqk
gdiylgryegwysisdesfltpqnitdgvdkdgnpckvslesghvvtwvseenymfrlsa
frerllewyhanpgcivpefrrreviravekglpdlsvsraratlhnwaipvpgnpdhcv
yvwldaltnyltgsrlrvdesgkevslvddfnelerfpadvhvigkdilkfhaiywpafl
lsaglplpkkivahgwwtkdrkkiskslgnvfdpvekaeefgydalkyfllresgfsddg
dysdknmiarlngeladtlgnlvmrctsakinvngewpspaayteedesliqlikdlpgt
adhyylipdiqkaiiavfdvlrainayvtdmapwklvktdperlrtvlyitlegvrvttl
llspilprksvvifdmlgvpevhrkgienfefgavppgtrlgpavegevlfskrstentk
st

    Sequence, based on observed residues (ATOM records): (download) 
    >4mw1A (A:)
vekvffvtspiyyvnaaphighvystlitdvigryhrvkgervfaltgtdehgqkvaeaa
kqkqvspydfttavagefkkcfeqmdysidyfirttneqhkavvkelwtkleqkgdiylg
ryegwysisdesfltpqnitdgvdkdgnpckvslesghvvtwvseenymfrlsafrerll
ewyhanpgcivpefrrreviravekglpdlsvsraratlhnwaipvpgnpdhcvyvwlda
ltnyltgsrlrvdesgkevslvddfnelerfpadvhvigkdilkfhaiywpafllsaglp
lpkkivahgwwtkdrkkiskslgnvfdpvekaeefgydalkyfllresgfsddgdysdkn
miarlngeladtlgnlvmrctsakinvngewpspaayteedesliqlikdlpgtadhyyl
ipdiqkaiiavfdvlrainayvtdmapwklvktdperlrtvlyitlegvrvttlllspil
prksvvifdmlgvpevhrkgienfefgavppgtrlgpavegevlfskrst

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4mw1B (B:)
gpgsmkvekvffvtspiyyvnaaphighvystlitdvigryhrvkgervfaltgtdehgq
kvaeaakqkqvspydfttavagefkkcfeqmdysidyfirttneqhkavvkelwtkleqk
gdiylgryegwysisdesfltpqnitdgvdkdgnpckvslesghvvtwvseenymfrlsa
frerllewyhanpgcivpefrrreviravekglpdlsvsraratlhnwaipvpgnpdhcv
yvwldaltnyltgsrlrvdesgkevslvddfnelerfpadvhvigkdilkfhaiywpafl
lsaglplpkkivahgwwtkdrkkiskslgnvfdpvekaeefgydalkyfllresgfsddg
dysdknmiarlngeladtlgnlvmrctsakinvngewpspaayteedesliqlikdlpgt
adhyylipdiqkaiiavfdvlrainayvtdmapwklvktdperlrtvlyitlegvrvttl
llspilprksvvifdmlgvpevhrkgienfefgavppgtrlgpavegevlfskrstentk
st

    Sequence, based on observed residues (ATOM records): (download) 
    >4mw1B (B:)
gpgsmkvekvffvtspiyyvnaaphighvystlitdvigryhrvkgervfaltgtdehgq
kvaeaakqkqvspydfttavagefkkcfeqmdysidyfirttneqhkavvkelwtkleqk
gdiylgryegwysisdesfltpqnitdgvdkdgnpckvslesghvvtwvseenymfrlsa
frerllewyhanpgcivpefrrreviravekglpdlsvsraratlhnwaipvpgnpdhcv
yvwldaltnyltgsrlrvdesgkevslvddfnelerfpadvhvigkdilkfhaiywpafl
lsaglplpkkivahgwwtkdrkkiskslgnvfdpvekaeefgydalkyfllresgfsddg
dysdknmiarlngeladtlgnlvmrctsakinvngewpspaayteedesliqlikdlpgt
adhyylipdiqkaiiavfdvlrainayvtdmapwklvktdperlrtvlyitlegvrvttl
llspilprksvvifdmlgvpevhrkgienfefgavppgtrlgpavegevlfskrst