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Structure paper

TitleDiscovery of novel tRNA-amino acid dual-site inhibitors against threonyl-tRNA synthetase by fragment-based target hopping.
Journal, issue, pagesEur. J. Med. Chem., Vol. 187, Page 111941-111941, Year 2019
Publish dateOct 5, 2019 (structure data deposition date)
AuthorsGuo, J. / Chen, B. / Yu, Y. / Cheng, B. / Cheng, Y. / Ju, Y. / Gu, Q. / Xu, J. / Zhou, H.
External linksEur. J. Med. Chem. / PubMed:31821989
MethodsX-ray diffraction
Resolution2.3 Å
Structure data

PDB-6l2p:
Threonyl-tRNA synthetase from Salmonella enterica in the apo form
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-6l2q:
Threonyl-tRNA synthetase from Salmonella enterica in complex with an inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-E4O:
(2S,3R)-2-azanyl-N-[(E)-4-[6,7-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]but-2-enyl]-3-oxidanyl-butanamide

ChemComp-EDO:
1,2-ETHANEDIOL

Source
  • salmonella enterica subsp. enterica serovar cubana str. 76814 (bacteria)
KeywordsLIGASE / tRNA synthetase / drug target / homodimer

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