› 1ylu

X-ray diffraction
2Å resolution

The structure of E. coli nitroreductase with bound acetate, crystal form 2

Released:
DOI: 10.2210/pdb1ylu/pdb
PDB entry 1ylu coloured by chain, front view.
PDB entry 1ylu coloured by chain, side view.
PDB entry 1ylu coloured by chain, top view.
Source organism: Escherichia coli
Primary publication:
Structural and mechanistic studies of Escherichia coli nitroreductase with the antibiotic nitrofurazone. Reversed binding orientations in different redox states of the enzyme.
Race PR, Lovering AL, Green RM, Ossor A, White SA, Searle PF, Wrighton CJ, Hyde EI
J Biol Chem 280 13256-64 (2005)
PMID: 15684426

Function and Biology Details

Reaction catalysed: 
A 5,6,7,8-tetrahydropteridine + NAD(P)(+) = a 6,7-dihydropteridine + NAD(P)H
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-153657 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Oxygen-insensitive NAD(P)H nitroreductase Chains: A, B
Molecule details ›
Chains: A, B
Length: 217 amino acids
Theoretical weight: 23.94 KDa
Source organism: Escherichia coli
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: P38489 (Residues: 1-217; Coverage: 100%)
Gene names: JW0567, b0578, dprA, nfnB, nfsB, nfsI, ntr
Sequence domains: Nitroreductase family
Structure domains: NADH Oxidase

Ligands and Environments


Cofactor: Ligand FMN 2 x FMN
1 bound ligand:
Ligand ACT 3 x ACT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE BM14
Spacegroup: P21212
Unit cell:
a: 155.661Å b: 46.94Å c: 53.658Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.147 0.144 0.203
Expression system: Escherichia coli BL21

Quick links

Citations

7 review citations

Reduction of polynitroaromatic compounds: the bacterial nitroreductases.
Roldán et al. (2008)
6 more

1 mention without citation

A structural metagenomics pipeline for examining the gut microbiome.
Walker et al. (2022)