Nitroreductase from e-coli in complex with the dinitrobenzamide prodrug SN23862

Summary for 1OO6

Related1IDT 1OO5 1OON 1OOQ
DescriptorOxygen-insensitive NAD(P)H nitroreductase, FLAVIN MONONUCLEOTIDE, 5-[BIS-2(CHLORO-ETHYL)-AMINO]-2,4-DINTRO-BENZAMIDE, ... (4 entities in total)
Functional Keywordsnad(p)h-quinone reductase, fmn, nitroreductase, flavoprotein, sn23862, oxidoreductase
Biological sourceEscherichia coli
Total number of polymer chains2
Total molecular weight49489.34
Johansson, E.,Parkinson, G.N.,Denny, W.A.,Neidle, S. (deposition date: 2003-03-03, 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 outliers0.27870.5%11.5%1.2%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation reportDownload
PDB entries from 2020-07-29