Nitroreductase from e-coli in complex with the dinitrobenzamide prodrug SN27217

Summary for 1OON

Related1DS7 1IDT 1OO5 1OO6 1OOQ
DescriptorOxygen-insensitive NAD(P)H nitroreductase, FLAVIN MONONUCLEOTIDE, 2,4-DINITRO,5-[BIS(2-BROMOETHYL)AMINO]-N-(2',3'-DIOXOPROPYL)BENZAMIDE, ... (4 entities in total)
Functional Keywordsnad(p)h-quinone reductase, fmn, nitroreductase, flavoprotein, sn27217, oxidoreductase
Biological sourceEscherichia coli
Total number of polymer chains2
Total molecular weight49297.14
Johansson, E.,Parkinson, G.N.,Denny, W.A.,Neidle, S. (deposition date: 2003-03-04, release date: 2003-04-08, Last modification date: 2011-07-13)
Primary citation
Johansson, E.,Parkinson, G.N.,Denny, W.A.,Neidle, S.
Studies on the Nitroreductase Prodrug-Activating System. Crystal Structures of Complexes with the Inhibitor Dicoumarol and Dinitrobenzamide Prodrugs and of the Enzyme Active Form
J.Med.Chem., 46:4009-4020, 2003
PubMed: 12954054 (PDB entries with the same primary citation)
DOI: 10.1021/jm030843b
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.261409.8%0.5%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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