4U0K

Crystal structure of Mycobacterium tuberculosis enoyl reductase complexed with N-(5-chloro-2-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide

Replaces:  2H7N

Summary for 4U0K

Related4TRJ 4TZK 4TZT 4U0J
DescriptorEnoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, (3S)-N-(5-CHLORO-2-METHYLPHENYL)-1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-CARBOXAMIDE, ... (4 entities in total)
Functional Keywordsoxidoreductase, pyrrolidine carboxamide
Biological sourceMycobacterium tuberculosis
Total number of polymer chains1
Total molecular weight29553.05
Authors
He, X.,Alian, A.,Stroud, R.M.,Ortiz de Montellano, P.R. (deposition date: 2014-07-11, release date: 2014-07-30, Last modification date: 2017-09-20)
Primary citation
He, X.,Alian, A.,Stroud, R.M.,Ortiz de Montellano, P.R.
Pyrrolidine carboxamides as a novel class of inhibitors of enoyl acyl carrier protein reductase from Mycobacterium tuberculosis
J. Med. Chem., :6308-6323, 2006
PubMed: 17034137 (PDB entries with the same primary citation)
DOI: 10.1021/JM060715Y
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.9 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.176200.5%1.1%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

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More Biological unit images

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(*)In the case of coarse surface representation, the asymmetric unit is shown as red ribbon representation.
Coordinate files for Biological unit (4u0k.pdb1.gz [542.45 KB])