› 7opn

X-ray diffraction
2.6Å resolution

Human Aldehyde Oxidase SNP R1231H in complex with Raloxifene

Released:
DOI: 10.2210/pdb7opn/pdb
PDB entry 7opn coloured by chain, front view.
PDB entry 7opn coloured by chain, side view.
PDB entry 7opn coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Interrogating the Inhibition Mechanisms of Human Aldehyde Oxidase by X-ray Crystallography and NMR Spectroscopy: The Raloxifene Case.
Mota C, Diniz A, Coelho C, Santos-Silva T, Esmaeeli M, Leimkühler S, Cabrita EJ, Marcelo F, Romão MJ
J Med Chem 64 13025-13037 (2021)
PMID: 34415167

Function and Biology Details

Reaction catalysed: 
An aldehyde + H(2)O + O(2) = a carboxylate + H(2)O(2)
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-170321 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Aldehyde oxidase Chains: A, B
Molecule details ›
Chains: A, B
Length: 1338 amino acids
Theoretical weight: 148.08 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli K-12
UniProt:
  • Canonical: Q06278 (Residues: 1-1338; Coverage: 100%)
Gene names: AO, AOX1
Sequence domains:

Ligands and Environments


Cofactor: Ligand FAD 2 x FAD

Cofactor: Ligand MTE 2 x MTE
7 bound ligands:
Ligand FES 4 x FES
Ligand MOS 2 x MOS
Ligand MLI 2 x MLI
Ligand PG6 1 x PG6
Ligand GOL 3 x GOL
Ligand RAL 4 x RAL
Ligand DMS 1 x DMS
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE MASSIF-3
Spacegroup: P43212
Unit cell:
a: 149.528Å b: 149.528Å c: 269.488Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.208 0.206 0.241
Expression system: Escherichia coli K-12

Quick links

Citations

1 review citation

Roles of selected non-P450 human oxidoreductase enzymes in protective and toxic effects of chemicals: review and compilation of reactions.
Rendić et al. (2022)