1IDT

STRUCTURAL STUDIES ON A PRODRUG-ACTIVATING SYSTEM-CB1954 AND FMN-DEPENDENT NITROREDUCTASE

Summary for 1IDT

DescriptorMINOR FMN-DEPENDENT NITROREDUCTASE, FLAVIN MONONUCLEOTIDE, 5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE, ... (4 entities in total)
Functional Keywordsfmn, bioreductive activation, prodrug, oxidoreductase
Biological sourceEscherichia coli
Total number of polymer chains2
Total molecular weight49291.42
Authors
Johansson, E.,Parkinson, G.N.,Denny, W.A.,Neidle, S. (deposition date: 2001-04-05, release date: 2003-09-16, Last modification date: 2018-12-12)
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 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.25990 5.0% 2.5%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution