1OO5

Studies on the Nitroreductase Prodrug-Activating System. Crystal Structures of the Enzyme Active Form and Complexes with the Inhibitor Dicoumarol and Dinitrobenzamide Prodrugs

Summary for 1OO5

Related1IDT
DescriptorOxygen-insensitive NAD(P)H nitroreductase, FLAVIN MONONUCLEOTIDE (3 entities in total)
Functional Keywordsnad(p)h-quinone reductase, fmn, nitroreductase, flavoprotein, oxidoreductase
Biological sourceEscherichia coli
Total number of polymer chains2
Total molecular weight48787.05
Authors
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
X-RAY DIFFRACTION (2.5 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.299100.2%14.5%3.7%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution