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TitleThe role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability.
Journal, issue, pagesJ. Biol. Chem., Vol. 289, Page 21651-21662, Year 2014
Publish dateMar 25, 2014 (structure data deposition date)
AuthorsAbibi, A. / Ferguson, A.D. / Fleming, P.R. / Gao, N. / Hajec, L.I. / Hu, J. / Laganas, V.A. / McKinney, D.C. / McLeod, S.M. / Prince, D.B. ...Abibi, A. / Ferguson, A.D. / Fleming, P.R. / Gao, N. / Hajec, L.I. / Hu, J. / Laganas, V.A. / McKinney, D.C. / McLeod, S.M. / Prince, D.B. / Shapiro, A.B. / Buurman, E.T.
External linksJ. Biol. Chem. / PubMed:24936059
MethodsX-ray diffraction
Resolution2.62 - 3.03 Å
Structure data

PDB-4p71:
Apo PheRS from P. aeuriginosa
Method: X-RAY DIFFRACTION / Resolution: 2.79 Å

PDB-4p72:
PheRS in complex with compound 2a
Method: X-RAY DIFFRACTION / Resolution: 2.62 Å

PDB-4p73:
PheRS in complex with compound 1a
Method: X-RAY DIFFRACTION / Resolution: 3.03 Å

PDB-4p74:
PheRS in complex with compound 3a
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

PDB-4p75:
PheRS in complex with compound 4a
Method: X-RAY DIFFRACTION / Resolution: 2.96 Å

Chemicals

ChemComp-HOH:
WATER

ChemComp-2NL:
2-{3-[(4-chloropyridin-2-yl)amino]phenoxy}-N-methylacetamide

ChemComp-GAX:
1-{3-[(4-pyridin-2-ylpiperazin-1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-2-yl)urea

ChemComp-2U9:
N-[(3S)-1,1-dioxidotetrahydrothiophen-3-yl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide

ChemComp-2NM:
3-(3-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole

Source
  • pseudomonas aeruginosa (bacteria)
KeywordsLIGASE / Phenylalanine tRNA synthetase / PheRS / LIGASE/LIGASE INHIBITOR / LIGASE-LIGASE INHIBITOR complex / Phenylalanyl-tRNA synthetase

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