› 3c6g

X-ray diffraction
2.8Å resolution

Crystal structure of CYP2R1 in complex with vitamin D3

Released:
DOI: 10.2210/pdb3c6g/pdb
PDB entry 3c6g coloured by chain, front view.
PDB entry 3c6g coloured by chain, side view.
PDB entry 3c6g coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural analysis of CYP2R1 in complex with vitamin D3.
Strushkevich N, Usanov SA, Plotnikov AN, Jones G, Park HW
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
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-180476 (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
UniProt:
  • 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
Carbohydrate polymer
2 bound ligands:
Ligand UNX 7 x UNX
Ligand VD3 2 x VD3
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-values:
R R work R free
0.195 0.193 0.231
Expression system: Escherichia coli

Quick links

Citations

22 review citations

Vitamin D: Metabolism, Molecular Mechanism of Action, and Pleiotropic Effects.
Christakos et al. (2016)
21 more

12 mentions without citation

Vitamin D-Mediated Hypercalcemia: Mechanisms, Diagnosis, and Treatment.
Tebben et al. (2016)
11 more