5I8W

Crystal structure of B. pseudomallei FabI in complex with NAD and PT401

Summary for 5I8W

DescriptorEnoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, 4-fluoro-5-hexyl-2-(2-methylphenoxy)phenol, ... (4 entities in total)
Functional Keywordsenoyl-acp reductase, burkholderia pseudomallei, diphenyl ethers, slow-binding inhibitors, oxidoreductase
Biological sourceBurkholderia pseudomallei
Total number of polymer chains1
Total molecular weight30291.2
Authors
Hirschbeck, M.W.,Eltschkner, S.,Tonge, P.J.,Kisker, C. (deposition date: 2016-02-19, release date: 2017-02-22, Last modification date: 2017-09-06)
Primary citation
Neckles, C.,Eltschkner, S.,Cummings, J.E.,Hirschbeck, M.,Daryaee, F.,Bommineni, G.R.,Zhang, Z.,Spagnuolo, L.,Yu, W.,Davoodi, S.,Slayden, R.A.,Kisker, C.,Tonge, P.J.
Rationalizing the Binding Kinetics for the Inhibition of the Burkholderia pseudomallei FabI1 Enoyl-ACP Reductase.
Biochemistry, 56:1865-1878, 2017
PubMed: 28225601 (PDB entries with the same primary citation)
DOI: 10.1021/acs.biochem.6b01048
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.629 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.193401.5%5.1%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation report