› 3r6w

X-ray diffraction
2.08Å resolution

paAzoR1 binding to nitrofurazone

Released:
DOI: 10.2210/pdb3r6w/pdb
PDB entry 3r6w coloured by chain, front view.
PDB entry 3r6w coloured by chain, side view.
PDB entry 3r6w coloured by chain, top view.
Source organism: Pseudomonas aeruginosa
Primary publication:
Activation of nitrofurazone by azoreductases: multiple activities in one enzyme.
Ryan A, Kaplan E, Laurieri N, Lowe E, Sim E
Sci Rep 1 63 (2011)
PMID: 22355582

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 tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-191418 (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: 212 amino acids
Theoretical weight: 23.08 KDa
Source organism: Pseudomonas aeruginosa
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

4 bound ligands:
Ligand FMN 2 x FMN
Ligand NFZ 2 x NFZ
Ligand SO4 1 x SO4
Ligand GOL 7 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I02
Spacegroup: P3121
Unit cell:
a: 82.202Å b: 82.202Å c: 108.462Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.163 0.161 0.204
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

4 review citations

Heteroatom-Heteroatom Bond Formation in Natural Product Biosynthesis.
Waldman et al. (2017)
3 more

4 mentions without citation

Azoreductases in drug metabolism.
Ryan A. (2017)
3 more