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TitleIdentification of Inhibitors of PvdQ, an Enzyme Involved in the Synthesis of the Siderophore Pyoverdine.
Journal, issue, pagesAcs Chem. Biol., Vol. 9, Page 1536-1544, Year 2014
Publish dateApr 9, 2013 (structure data deposition date)
AuthorsWurst, J.M. / Drake, E.J. / Theriault, J.R. / Jewett, I.T. / VerPlank, L. / Perez, J.R. / Dandapani, S. / Palmer, M. / Moskowitz, S.M. / Schreiber, S.L. ...Wurst, J.M. / Drake, E.J. / Theriault, J.R. / Jewett, I.T. / VerPlank, L. / Perez, J.R. / Dandapani, S. / Palmer, M. / Moskowitz, S.M. / Schreiber, S.L. / Munoz, B. / Gulick, A.M.
External linksAcs Chem. Biol. / PubMed:24824984
MethodsX-ray diffraction
Resolution1.99 - 2.3 Å
Structure data

PDB-4k2f:
Structure of Pseudomonas aeruginosa PvdQ bound to BRD-A08522488
Method: X-RAY DIFFRACTION / Resolution: 1.99 Å

PDB-4k2g:
Structure of Pseudomonas aeruginosa PvdQ bound to BRD-A33442372
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

Chemicals

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-A08:
(2S)-(4-chlorophenyl)(6-chloropyridin-2-yl)ethanenitrile

ChemComp-HOH:
WATER

ChemComp-1OQ:
(2S)-(4-fluorophenyl)[6-(trifluoromethyl)pyridin-2-yl]ethanenitrile

Source
  • pseudomonas aeruginosa (bacteria)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / amidohydrolase / bacterial protein / catalytic domain / high-throughput screening assays / molecular sequence data / oligopeptides / small molecule libraries / structure-activity relationship / HYDROLASE-HYDROLASE INHIBITOR complex

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