› 3v8d

X-ray diffraction
1.9Å resolution

Crystal structure of human CYP7A1 in complex with 7-ketocholesterol

Released:
DOI: 10.2210/pdb3v8d/pdb
PDB entry 3v8d coloured by chain, front view.
PDB entry 3v8d coloured by chain, side view.
PDB entry 3v8d 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, Usanov SA, 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:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-149755 (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
3 bound ligands:
Ligand 0GV 2 x 0GV
Ligand SO4 6 x SO4
Ligand UNX 14 x UNX
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: CLSI BEAMLINE 08ID-1
Spacegroup: P1
Unit cell:
a: 55.618Å b: 74.22Å c: 87.933Å
α: 66.33° β: 75.53° γ: 69.62°
R-values:
R R work R free
0.186 0.185 0.225
Expression system: Escherichia coli

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