X-ray diffraction
2.8Å resolution

Crystal structure of CYP2R1 in complex with vitamin D3

Source organism: Homo sapiens
Primary publication:
Structural analysis of CYP2R1 in complex with vitamin D3.
J. Mol. Biol. 380 95-106 (2008)
PMID: 18511070

Function and Biology Details

Reaction catalysed:
Calciol + O(2) + [reduced NADPH--hemoprotein reductase] = calcidiol + [oxidized NADPH--hemoprotein reductase] + H(2)O

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (2 distinct):
Vitamin D 25-hydroxylase Chains: A, B
Molecule details ›
Chains: A, B
Length: 479 amino acids
Theoretical weight: 55.14 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
  • Canonical: Q6VVX0 (Residues: 32-501; Coverage: 99%)
Gene name: CYP2R1
Sequence domains: Cytochrome P450
Structure domains: Cytochrome P450

Ligands and Environments

Cofactor: Ligand HEM 2 x HEM
Carbohydrate polymer : NEW Components: GLC
2 bound ligands:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: C2221
Unit cell:
a: 137.68Å b: 163.051Å c: 152.755Å
α: 90° β: 90° γ: 90°
R R work R free
0.195 0.193 0.231
Expression system: Escherichia coli