› 1kqc

X-ray diffraction
1.8Å resolution

Structure of Nitroreductase from E. cloacae Complex with Inhibitor Acetate

Released:
DOI: 10.2210/pdb1kqc/pdb
PDB entry 1kqc coloured by chain, front view.
PDB entry 1kqc coloured by chain, side view.
PDB entry 1kqc coloured by chain, top view.
Source organism: Enterobacter cloacae
Primary publication:
Structures of nitroreductase in three states: effects of inhibitor binding and reduction.
Haynes CA, Koder RL, Miller AF, Rodgers DW
J Biol Chem 277 11513-20 (2002)
PMID: 11805110

Function and Biology Details

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-169541 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Oxygen-insensitive NAD(P)H nitroreductase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 217 amino acids
Theoretical weight: 23.98 KDa
Source organism: Enterobacter cloacae
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q01234 (Residues: 1-217; Coverage: 100%)
Gene names: nfnB, nfsB, nfsI
Sequence domains: Nitroreductase family
Structure domains: NADH Oxidase

Ligands and Environments

2 bound ligands:
Ligand ACT 4 x ACT
Ligand FMN 4 x FMN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU200
Spacegroup: P21
Unit cell:
a: 52.785Å b: 79.606Å c: 97.138Å
α: 90° β: 93.63° γ: 90°
R-values:
R R work R free
0.195 0.187 0.219
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

4 review citations

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

2 mentions without citation

Crystal structure of reduced MsAcg, a putative nitroreductase from Mycobacterium smegmatis and a close homologue of Mycobacterium tuberculosis Acg.
Chauviac et al. (2012)
1 more