› 8cgs

X-ray diffraction
1.84Å resolution

Crystal structure of arsenite oxidase from Alcaligenes faecalis (Af Aio) bound to antimony oxyanion

Released:
DOI: 10.2210/pdb8cgs/pdb
PDB entry 8cgs coloured by chain, front view.
PDB entry 8cgs coloured by chain, side view.
PDB entry 8cgs coloured by chain, top view.
Source organism: Alcaligenes faecalis
Primary publication:
Arsenite oxidase in complex with antimonite and arsenite oxyanions - insights into the catalytic mechanism.
Engrola F, Correia MAS, Watson C, Romão CC, Veiros LF, Romão MJ, Santos-Silva T, Santini JM
J Biol Chem 105036 (2023)
PMID: 37442232

Function and Biology Details

Reaction catalysed: 
Arsenite + H(2)O + 2 oxidized azurin = arsenate + 2 reduced azurin + 2 H(+)
Biochemical function:
Biological process:
Cellular component:

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-181972 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Arsenite oxidase subunit AioA Chains: A, C, E, G
Molecule details ›
Chains: A, C, E, G
Length: 822 amino acids
Theoretical weight: 92.03 KDa
Source organism: Alcaligenes faecalis
Expression system: Escherichia coli
UniProt:
  • Canonical: Q7SIF4 (Residues: 5-826; Coverage: 100%)
Gene names: aioA, aoxB, asoA
Sequence domains:
Arsenite oxidase subunit AioB Chains: B, D, F, H
Molecule details ›
Chains: B, D, F, H
Length: 133 amino acids
Theoretical weight: 14.19 KDa
Source organism: Alcaligenes faecalis
Expression system: Escherichia coli
UniProt:
  • Canonical: Q7SIF3 (Residues: 43-175; Coverage: 93%)
Gene names: aioB, aoxA, asoB
Sequence domains: Rieske [2Fe-2S] domain

Ligands and Environments


Cofactor: Ligand MGD 8 x MGD
14 bound ligands:
Ligand O 4 x O
Ligand 4MO 4 x 4MO
Ligand F3S 4 x F3S
Ligand PEG 6 x PEG
Ligand ACT 4 x ACT
Ligand PO4 6 x PO4
Ligand UJI 4 x UJI
Ligand CL 5 x CL
Ligand GOL 4 x GOL
Ligand TRS 3 x TRS
Ligand FES 4 x FES
Ligand EDO 2 x EDO
Ligand SO4 1 x SO4
Ligand NA 1 x NA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: MAX IV BEAMLINE BioMAX
Spacegroup: P1
Unit cell:
a: 90.378Å b: 109.21Å c: 117.342Å
α: 97.71° β: 90.06° γ: 96.28°
R-values:
R R work R free
0.155 0.154 0.189
Expression system: Escherichia coli

Quick links

Citations

1 mention without citation

Arsenite oxidase in complex with antimonite and arsenite oxyanions: Insights into the catalytic mechanism.
Engrola et al. (2023)