› 3sn5

X-ray diffraction
2.75Å resolution

Crystal structure of human CYP7A1 in complex with cholest-4-en-3-one

Released:
DOI: 10.2210/pdb3sn5/pdb
PDB entry 3sn5 coloured by chain, front view.
PDB entry 3sn5 coloured by chain, side view.
PDB entry 3sn5 coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Strushkevich N, Tempel W, MacKenzie F, Wernimont AK, Arrowsmith CH, Edwards AM, Bountra C, Weigelt J, Park H, Structural Genomics Consortium (SGC)

Function and Biology Details

Reactions catalysed: 
Cholesterol + [reduced NADPH--hemoprotein reductase] + O(2) = 7-alpha-hydroxycholesterol + [oxidized NADPH--hemoprotein reductase] + H(2)O
(24S)-cholest-5-ene-3-beta,24-diol + [reduced NADPH--hemoprotein reductase] + O(2) = (24S)-cholest-5-ene-3-beta,7-alpha,24-triol + [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-149754 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cytochrome P450 7A1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 491 amino acids
Theoretical weight: 56.48 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P22680 (Residues: 25-503; Coverage: 95%)
Gene names: CYP7, CYP7A1
Sequence domains: Cytochrome P450
Structure domains: Cytochrome P450

Ligands and Environments


Cofactor: Ligand HEM 2 x HEM
2 bound ligands:
Ligand K2B 2 x K2B
Ligand UNX 8 x UNX
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-B
Spacegroup: P212121
Unit cell:
a: 56.16Å b: 137.63Å c: 160.15Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.184 0.182 0.22
Expression system: Escherichia coli

Quick links