› 3ibd

X-ray diffraction
2Å resolution

Crystal structure of a cytochrome P450 2B6 genetic variant in complex with the inhibitor 4-(4-chlorophenyl)imidazole

Released:
DOI: 10.2210/pdb3ibd/pdb
PDB entry 3ibd coloured by chain, front view.
PDB entry 3ibd coloured by chain, side view.
PDB entry 3ibd coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Crystal structure of a cytochrome P450 2B6 genetic variant in complex with the inhibitor 4-(4-chlorophenyl)imidazole at 2.0-A resolution.
Gay SC, Shah MB, Talakad JC, Maekawa K, Roberts AG, Wilderman PR, Sun L, Yang JY, Huelga SC, Hong WX, Zhang Q, Stout CD, Halpert JR
Mol Pharmacol 77 529-38 (2010)
PMID: 20061448

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-149066 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cytochrome P450 2B6 Chain: A
Molecule details ›
Chain: A
Length: 476 amino acids
Theoretical weight: 54.65 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P20813 (Residues: 30-491; Coverage: 94%)
Gene name: CYP2B6
Sequence domains: Cytochrome P450
Structure domains: Cytochrome P450

Ligands and Environments

4 bound ligands:
Ligand HEM 1 x HEM
Ligand CPZ 1 x CPZ
Ligand CM5 2 x CM5
Ligand SCN 4 x SCN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL11-1
Spacegroup: C2
Unit cell:
a: 89.573Å b: 55.74Å c: 99.09Å
α: 90° β: 96.51° γ: 90°
R-values:
R R work R free
0.181 0.178 0.228
Expression system: Escherichia coli

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Citations

11 review citations

Cytochrome P450 enzymes in drug metabolism: regulation of gene expression, enzyme activities, and impact of genetic variation.
Zanger et al. (2013)
10 more

25 mentions without citation

Structural features of cytochromes P450 and ligands that affect drug metabolism as revealed by X-ray crystallography and NMR.
Gay et al. (2010)
24 more