› 3w79

X-ray diffraction
2.4Å resolution

Crystal Structure of azoreductase AzrC in complex with sulfone-modified azo dye Orange I

Released:
DOI: 10.2210/pdb3w79/pdb
PDB entry 3w79 coloured by chain, front view.
PDB entry 3w79 coloured by chain, side view.
PDB entry 3w79 coloured by chain, top view.
Source organism: Bacillus sp. B29
Primary publication:
Structures of AzrA and of AzrC complexed with substrate or inhibitor: insight into substrate specificity and catalytic mechanism.
Yu J, Ogata D, Gai Z, Taguchi S, Tanaka I, Ooi T, Yao M
Acta Crystallogr D Biol Crystallogr 70 553-64 (2014)
PMID: 24531489

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-111056 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
FMN dependent NADH:quinone oxidoreductase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 211 amino acids
Theoretical weight: 22.95 KDa
Source organism: Bacillus sp. B29
Expression system: Escherichia coli
UniProt:
  • Canonical: C0STY1 (Residues: 1-211; Coverage: 100%)
Gene names: azoR, azrC
Sequence domains: Flavodoxin-like fold
Structure domains: Rossmann fold

Ligands and Environments

2 bound ligands:
Ligand FMN 4 x FMN
Ligand ORI 4 x ORI
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: PHOTON FACTORY BEAMLINE AR-NW12A
Spacegroup: C2
Unit cell:
a: 191.144Å b: 56.567Å c: 105.096Å
α: 90° β: 115.72° γ: 90°
R-values:
R R work R free
0.215 0.214 0.243
Expression system: Escherichia coli

Quick links

Citations

5 citation in other articles

Mixed azo dyes degradation by an intracellular azoreductase enzyme from alkaliphilic Bacillus subtilis: a molecular docking study.
Krithika et al. (2021)
4 more

2 mentions without citation

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