› 2q9g

X-ray diffraction
2.4Å resolution

Crystal structure of human cytochrome P450 46A1

Released:
DOI: 10.2210/pdb2q9g/pdb
PDB entry 2q9g coloured by chain, front view.
PDB entry 2q9g coloured by chain, side view.
PDB entry 2q9g coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Crystal structures of substrate-bound and substrate-free cytochrome P450 46A1, the principal cholesterol hydroxylase in the brain.
Mast N, White MA, Bjorkhem I, Johnson EF, Stout CD, Pikuleva IA
Proc Natl Acad Sci U S A 105 9546-51 (2008)
PMID: 18621681

Function and Biology Details

Reaction catalysed: 
Cholesterol + [reduced NADPH--hemoprotein reductase] + O(2) = (24S)-cholest-5-ene-3-beta,24-diol + [oxidized NADPH--hemoprotein reductase] + H(2)O
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-195348 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cholesterol 24-hydroxylase Chain: A
Molecule details ›
Chain: A
Length: 456 amino acids
Theoretical weight: 52.13 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli DH5[alpha]
UniProt:
  • Canonical: Q9Y6A2 (Residues: 51-500; Coverage: 90%)
Gene names: CYP46, CYP46A1
Sequence domains: Cytochrome P450
Structure domains: Cytochrome P450

Ligands and Environments


Cofactor: Ligand HEM 1 x HEM
1 bound ligand:
Ligand GOL 2 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL11-1
Spacegroup: I4122
Unit cell:
a: 121.35Å b: 121.35Å c: 142.57Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.218 0.189 0.242
Expression system: Escherichia coli DH5[alpha]

Quick links

Citations

14 review citations

Cholesterol 24-hydroxylase: an enzyme of cholesterol turnover in the brain.
Russell et al. (2009)
13 more

8 mentions without citation

Conformational plasticity and structure/function relationships in cytochromes P450.
Pochapsky et al. (2010)
7 more