› 4i91

X-ray diffraction
2Å resolution

Crystal Structure of Cytochrome P450 2B6 (Y226H/K262R) in complex with alpha-Pinene.

Released:
DOI: 10.2210/pdb4i91/pdb
PDB entry 4i91 coloured by chain, front view.
PDB entry 4i91 coloured by chain, side view.
PDB entry 4i91 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural and thermodynamic basis of (+)-α-pinene binding to human cytochrome P450 2B6.
Wilderman PR, Shah MB, Jang HH, Stout CD, Halpert JR
J Am Chem Soc 135 10433-40 (2013)
PMID: 23786449

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: 20-491; Coverage: 96%)
Gene name: CYP2B6
Sequence domains: Cytochrome P450
Structure domains: Cytochrome P450

Ligands and Environments

4 bound ligands:
Ligand HEM 1 x HEM
Ligand FRU 1 x FRU
Ligand CM5 3 x CM5
Ligand TMH 1 x TMH
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL7-1
Spacegroup: P3221
Unit cell:
a: 77.059Å b: 77.059Å c: 201.847Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.183 0.181 0.21
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Potential Herb-Drug Interactions in the Management of Age-Related Cognitive Dysfunction.
Auxtero et al. (2021)
1 more

11 mentions without citation

Ligand Access Channels in Cytochrome P450 Enzymes: A Review.
Urban et al. (2018)
10 more