› 1h63

X-ray diffraction
1.62Å resolution

Structure of the reduced Pentaerythritol Tetranitrate Reductase

Released:
DOI: 10.2210/pdb1h63/pdb
PDB entry 1h63 coloured by chain, front view.
PDB entry 1h63 coloured by chain, side view.
PDB entry 1h63 coloured by chain, top view.
Source organism: Enterobacter cloacae
Primary publication:
Crystal structure of pentaerythritol tetranitrate reductase: "flipped" binding geometries for steroid substrates in different redox states of the enzyme.
Barna TM, Khan H, Bruce NC, Barsukov I, Scrutton NS, Moody PC
J Mol Biol 310 433-47 (2001)
PMID: 11428899

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 K-12
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

1 bound ligand:
Ligand FMN 1 x FMN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU200
Spacegroup: P212121
Unit cell:
a: 56.527Å b: 68.57Å c: 88.314Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.186 0.186 0.21
Expression system: Escherichia coli K-12

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Citations

7 review citations

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