4CL6

Crystal Structure of 3-hydroxydecanoyl-Acyl Carrier Protein Dehydratase (FabA) from Pseudomonas aeruginosa in complex with N-(4- Chlorobenzyl)-3-(2-furyl)-1H-1,2,4-triazol-5-amine

Summary for 4CL6

Descriptor3-HYDROXYDECANOYL-[ACYL-CARRIER-PROTEIN] DEHYDRATASE, N-(4-chlorobenzyl)-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine (3 entities in total)
Functional Keywordslyase, fatty acid biosynthesis, bacterial virulence, drug discovery
Biological sourcePSEUDOMONAS AERUGINOSA PAO1
Total number of polymer chains5
Total molecular weight95216.2
Authors
Moynie, L.,McMahon, S.A.,Duthie, F.G.,Naismith, J.H. (deposition date: 2014-01-13, release date: 2015-01-21, Last modification date: 2018-06-13)
Primary citation
Moynie, L.,Hope, A.G.,Finzel, K.,Schmidberger, J.,Leckie, S.M.,Schneider, G.,Burkart, M.D.,Smith, A.D.,Gray, D.W.,Naismith, J.H.
A Substrate Mimic Allows High Throughput Assay of the Faba Protein and Consequently the Identification of a Novel Inhibitor of Pseudomonas Aeruginosa Faba.
J.Mol.Biol., 428:108-120, 2016
PubMed: 26562505 (PDB entries with the same primary citation)
DOI: 10.1016/J.JMB.2015.10.027
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.41 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.216200.7%2.8%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution