› 3f03

X-ray diffraction
1.34Å resolution

Crystal structure of Pentaerythritol Tetranitrate Reductase complex with 1-nitrocyclohexene

Released:
DOI: 10.2210/pdb3f03/pdb
PDB entry 3f03 coloured by chain, front view.
PDB entry 3f03 coloured by chain, side view.
PDB entry 3f03 coloured by chain, top view.
Source organism: Enterobacter cloacae
Entry authors: Roujeinikova AR, Toogood HS, Leys D

Function and Biology Details

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

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: K
Molecule details ›
Chain: K
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

4 bound ligands:
Ligand NYH 1 x NYH
Ligand FMN 1 x FMN
Ligand CL 1 x CL
Ligand IPA 1 x IPA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-1
Spacegroup: P212121
Unit cell:
a: 57.338Å b: 70.295Å c: 89.016Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.116 0.115 0.145
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Applications of protein engineering to members of the old yellow enzyme family.
Amato et al. (2015)
1 more

1 mention without citation

Structure-Based Insight into the Asymmetric Bioreduction of the C=C Double Bond of alpha,beta-Unsaturated Nitroalkenes by Pentaerythritol Tetranitrate Reductase.
Toogood et al. (2008)