4B8U

Crystal Structure of 3-hydroxydecanoyl-Acyl Carrier Protein Dehydratase (FabA) from Pseudomonas aeruginosa in complex with N- isobutyl-2-(5-(2-thienyl)-1,2-oxazol-3-yl-)methoxy)acetamide

Summary for 4B8U

Related4B0B 4B0C 4B0I 4B0J 4FQ9
Descriptor3-HYDROXYDECANOYL-[ACYL-CARRIER-PROTEIN] DEHYDRATASE, N-isobutyl-2-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methoxy}acetamide, SULFATE ION, ... (4 entities in total)
Functional Keywordslyase, fatty acid biosynthesis, inhibitor, bacterial virulence, drug discovery
Biological sourcePSEUDOMONAS AERUGINOSA
Cellular locationCytoplasm (By similarity) O33877
Total number of polymer chains5
Total molecular weight94233.1
Authors
Moynie, L.,McMahon, S.A.,Duthie, F.G.,Brenk, R.,Naismith, J.H. (deposition date: 2012-08-30, release date: 2012-09-26, Last modification date: 2013-01-16)
Primary citation
Moynie, L.,Leckie, S.M.,Mcmahon, S.A.,Duthie, F.G.,Koehnke, A.,Taylor, J.W.,Alphey, M.S.,Brenk, R.,Smith, A.D.,Naismith, J.H.
Structural Insights Into the Mechanism and Inhibition of the Beta-Hydroxydecanoyl-Acyl Carrier Protein Dehydratase from Pseudomonasaeruginosa.
J.Mol.Biol., 425:365-, 2013
PubMed: 23174186 (PDB entries with the same primary citation)
DOI: 10.1016/J.JMB.2012.11.017
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.76 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.228301.8%1.7%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation report