› 1gvo

X-ray diffraction
1.38Å resolution

STRUCTURE OF PENTAERYTHRITOL TETRANITRATE REDUCTASE AND COMPLEXED WITH 2,4 DINITROPHENOL

Released:
DOI: 10.2210/pdb1gvo/pdb
PDB entry 1gvo coloured by chain, front view.
PDB entry 1gvo coloured by chain, side view.
PDB entry 1gvo coloured by chain, top view.
Source organism: Enterobacter cloacae
Primary publication:
Kinetic and structural basis of reactivity of pentaerythritol tetranitrate reductase with NADPH, 2-cyclohexenone, nitroesters, and nitroaromatic explosives.
Khan H, Harris RJ, Barna T, Craig DH, Bruce NC, Munro AW, Moody PC, Scrutton NS
J Biol Chem 277 21906-12 (2002)
PMID: 11923299

Function and Biology Details

Biochemical function:
Biological process:
  • not assigned
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-159784 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
NADH:flavin oxidoreductase/NADH oxidase N-terminal domain-containing protein Chain: A
Molecule details ›
Chain: A
Length: 364 amino acids
Theoretical weight: 39.4 KDa
Source organism: Enterobacter cloacae
Expression system: Escherichia coli
UniProt:
  • Canonical: P71278 (Residues: 2-365; Coverage: 100%)
Gene name: onr
Sequence domains: NADH:flavin oxidoreductase / NADH oxidase family
Structure domains: Aldolase class I

Ligands and Environments

2 bound ligands:
Ligand FMN 1 x FMN
Ligand DNF 1 x DNF
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SRS BEAMLINE PX9.6
Spacegroup: P212121
Unit cell:
a: 56.963Å b: 69.094Å c: 89.024Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.175 0.175 0.2
Expression system: Escherichia coli

Quick links

Citations

5 review citations

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

1 mention without citation

Using neural networks and evolutionary information in decoy discrimination for protein tertiary structure prediction.
Tan et al. (2008)