› 2v9c

X-ray diffraction
2.18Å resolution

X-ray Crystallographic Structure of a Pseudomonas aeruginosa Azoreductase in Complex with Methyl Red.

Released:
DOI: 10.2210/pdb2v9c/pdb
PDB entry 2v9c coloured by chain, front view.
PDB entry 2v9c coloured by chain, side view.
PDB entry 2v9c coloured by chain, top view.
Source organism: Pseudomonas aeruginosa PAO1
Primary publication:
Molecular cloning, characterisation and ligand-bound structure of an azoreductase from Pseudomonas aeruginosa.
Wang CJ, Hagemeier C, Rahman N, Lowe E, Noble M, Coughtrie M, Sim E, Westwood I
J Mol Biol 373 1213-28 (2007)
PMID: 17904577

Function and Biology Details

Reaction catalysed: 
Anthranilate + N,N-dimethyl-1,4-phenylenediamine + 2 NAD(+) = 2-(4-dimethylaminophenyl)diazenylbenzoate + 2 NADH
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-191417 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
FMN-dependent NAD(P)H:quinone oxidoreductase 1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 215 amino acids
Theoretical weight: 23.36 KDa
Source organism: Pseudomonas aeruginosa PAO1
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q9I5F3 (Residues: 1-212; Coverage: 100%)
Gene names: PA0785, azoR1
Sequence domains: Flavodoxin-like fold
Structure domains: Rossmann fold

Ligands and Environments

3 bound ligands:
Ligand FMN 2 x FMN
Ligand MRE 2 x MRE
Ligand GOL 3 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID29
Spacegroup: P3121
Unit cell:
a: 82.55Å b: 82.55Å c: 108.65Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.194 0.194 0.242
Expression system: Escherichia coli BL21(DE3)

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Citations

4 review citations

Arylamine N-acetyltransferases: from drug metabolism and pharmacogenetics to drug discovery.
Sim et al. (2014)
3 more

7 mentions without citation

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