› 3na1

X-ray diffraction
2.25Å resolution

Crystal structure of human CYP11A1 in complex with 20-hydroxycholesterol

Released:
DOI: 10.2210/pdb3na1/pdb
PDB entry 3na1 coloured by chain, front view.
PDB entry 3na1 coloured by chain, side view.
PDB entry 3na1 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural basis for pregnenolone biosynthesis by the mitochondrial monooxygenase system.
Strushkevich N, MacKenzie F, Cherkesova T, Grabovec I, Usanov S, Park HW
Proc Natl Acad Sci U S A 108 10139-43 (2011)
PMID: 21636783

Function and Biology Details

Reaction catalysed: 
(1a) cholesterol + 2 reduced adrenodoxin + O(2) + 2 H(+) = (22R)-22-hydroxycholesterol + 2 oxidized adrenodoxin + H(2)O
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-138503 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Cholesterol side-chain cleavage enzyme, mitochondrial Chains: A, B
Molecule details ›
Chains: A, B
Length: 487 amino acids
Theoretical weight: 56.89 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P05108 (Residues: 41-521; Coverage: 92%)
Gene names: CYP11A, CYP11A1
Sequence domains: Cytochrome P450
Structure domains: Cytochrome P450
Adrenodoxin, mitochondrial Chains: C, D
Molecule details ›
Chains: C, D
Length: 123 amino acids
Theoretical weight: 13.49 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P10109 (Residues: 62-184; Coverage: 67%)
Gene names: ADX, FDX1
Sequence domains: 2Fe-2S iron-sulfur cluster binding domain

Ligands and Environments


Cofactor: Ligand HEM 2 x HEM
2 bound ligands:
Ligand HCD 2 x HCD
Ligand FES 2 x FES
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-B
Spacegroup: P21
Unit cell:
a: 82.81Å b: 115.149Å c: 85.727Å
α: 90° β: 101.45° γ: 90°
R-values:
R R work R free
0.195 0.193 0.232
Expression system: Escherichia coli

Quick links

Citations

37 review citations

Nuclear Receptors, RXR, and the Big Bang.
Evans et al. (2014)
36 more

4 mentions without citation

Human cytochrome P450 enzymes 5-51 as targets of drugs and natural and environmental compounds: mechanisms, induction, and inhibition - toxic effects and benefits.
Rendic et al. (2018)
3 more