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Structure paper

TitleRe-discovery of PF-3845 as a new chemical scaffold inhibiting phenylalanyl-tRNA synthetase in Mycobacterium tuberculosis .
Journal, issue, pagesJ. Biol. Chem., Year 2021
Publish dateOct 18, 2020 (structure data deposition date)
AuthorsWang, H. / Xu, M. / Engelhart, C.A. / Zhang, X. / Yan, B. / Pan, M. / Xu, Y. / Fan, S. / Liu, R. / Xu, L. ...Wang, H. / Xu, M. / Engelhart, C.A. / Zhang, X. / Yan, B. / Pan, M. / Xu, Y. / Fan, S. / Liu, R. / Xu, L. / Hua, L. / Schnappinger, D. / Chen, S.
External linksJ. Biol. Chem. / PubMed:33397709
MethodsX-ray diffraction
Resolution2.3 - 2.83 Å
Structure data

PDB-7daw:
Crystal structure of Mycobacterium tuberculosis phenylalanyl-tRNA synthetase
Method: X-RAY DIFFRACTION / Resolution: 2.83 Å

PDB-7db7:
Crystal structure of Mycobacterium tuberculosis phenylalanyl-tRNA synthetase in complex with compound GDI05-001
Method: X-RAY DIFFRACTION / Resolution: 2.71 Å

PDB-7db8:
Crystal structure of Mycobacterium tuberculosis phenylalanyl-tRNA synthetase in complex with compound PF-3845
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-H2L:
1-[3-[2-(1H-indol-3-yl)ethylsulfamoyl]phenyl]-3-(1,3-thiazol-2-yl)urea

ChemComp-HOH:
WATER

ChemComp-H2R:
N-pyridin-3-yl-4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methyl]piperidine-1-carboxamide / inhibitor*YM

Source
  • mycobacterium tuberculosis (strain atcc 25618 / h37rv) (bacteria)
KeywordsLIGASE / aminoacylation / tRNA-binding / aminoacyl-tRNA synthetase / ATP-binding

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