Crystal Structure of E. Coli Enoyl Reductase-NAD+ with a Bound Benzamide Inhibitor

Summary for 1LX6

Related1C14 1I2Z 1I30 1QG6 1lxc
DescriptorEnoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, 3-[(ACETYL-METHYL-AMINO)-METHYL]-4-AMINO-N-METHYL-N-(1-METHYL-1H-INDOL-2-YLMETHYL)-BENZAMIDE, ... (4 entities in total)
Functional Keywordsfabi, enoyl reductase, oxidoreductase
Biological sourceEscherichia coli
Total number of polymer chains2
Total molecular weight57869.64
Smith, W.W.,Qiu, X.,Janson, C.A. (deposition date: 2002-06-04, release date: 2002-09-04, Last modification date: 2011-07-13)
Primary citation
Miller, W.H.,Seefeld, M.A.,Newlander, K.A.,Uzinskas, I.N.,Burgess, W.J.,Heerding, D.A.,Yuan, C.C.,Head, M.S.,Payne, D.J.,Rittenhouse, S.F.,Moore, T.D.,Pearson, S.C.,Berry, V.,DeWolf Jr., W.E.,Keller, P.M.,Polizzi, B.J.,Qiu, X.,Janson, C.A.,Huffman, W.F.
Discovery of aminopyridine-based inhibitors of bacterial enoyl-ACP reductase (FabI).
J.Med.Chem., 45:3246-3256, 2002
PubMed: 12109908 (PDB entries with the same primary citation)
DOI: 10.1021/jm020050+
MImport into Mendeley
Experimental method

Structure validation

ClashscoreRamachandran outliersSidechain outliers11 0.2% 6.2%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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PDB entries from 2020-11-25