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Structure paper

TitleStructure and Dynamics of Three Escherichia coli NfsB Nitro-Reductase Mutants Selected for Enhanced Activity with the Cancer Prodrug CB1954.
Journal, issue, pagesInt J Mol Sci, Vol. 24, Year 2023
Publish dateJan 6, 2023 (structure data deposition date)
AuthorsDay, M.A. / Christofferson, A.J. / Anderson, J.L.R. / Vass, S.O. / Evans, A. / Searle, P.F. / White, S.A. / Hyde, E.I.
External linksInt J Mol Sci / PubMed:36983061
MethodsX-ray diffraction
Resolution1.6 - 2.2 Å
Structure data

PDB-8c5e:
E. coli NfsB-T41Q/N71S/F124T mutant bound to nicotinic acid
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

PDB-8c5f:
E. coli NfsB-T41Q/N71S/F124T mutant bound to acetate
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-8c5p:
E. coli NfsB mutant N71S T41L with acetate
Method: X-RAY DIFFRACTION / Resolution: 1.69 Å

PDB-8ccv:
E. coli NfsB mutant T41LN71S with nicotinate
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-8cj0:
E. coli NfsB-T41Q/N71S/F124T/M127V mutant bound to nicotinate
Method: X-RAY DIFFRACTION / Resolution: 1.99 Å

PDB-8og3:
E. coli NfsB triple mutant T41L/N71S/F124T bound to citrate
Method: X-RAY DIFFRACTION / Resolution: 2.09 Å

Chemicals

ChemComp-FMN:
FLAVIN MONONUCLEOTIDE

ChemComp-NIO:
NICOTINIC ACID

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

ChemComp-ACT:
ACETATE ION

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-CIT:
CITRIC ACID

Source
  • escherichia coli (E. coli)
KeywordsOXIDOREDUCTASE / Nitroreductase mutant / complex / Oxygen insensitive NAD(P)H Nitroreductase / Double mutant / Oxygen insensitve NAD(P)H nitroreductase / Nitroreductase / citrate complex

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