› 3mdm

X-ray diffraction
1.6Å resolution

Thioperamide complex of Cytochrome P450 46A1

Released:
DOI: 10.2210/pdb3mdm/pdb
PDB entry 3mdm coloured by chain, front view.
PDB entry 3mdm coloured by chain, side view.
PDB entry 3mdm coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural basis of drug binding to CYP46A1, an enzyme that controls cholesterol turnover in the brain.
Mast N, Charvet C, Pikuleva IA, Stout CD
J Biol Chem 285 31783-95 (2010)
PMID: 20667828

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
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 FJZ 1 x FJZ
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL7-1
Spacegroup: P212121
Unit cell:
a: 58.83Å b: 85.82Å c: 104.2Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.182 0.182 0.226
Expression system: Escherichia coli

Quick links

Citations

11 review citations

Structural diversity of eukaryotic membrane cytochrome p450s.
Johnson et al. (2013)
10 more

10 mentions without citation

Biochemical and physiological importance of the CYP26 retinoic acid hydroxylases.
Isoherranen et al. (2019)
9 more