› 4rui

X-ray diffraction
2.61Å resolution

Crystal structure of a cytochrome P450 2A6 in complex with a monoterpene - sabinene.

Released:
DOI: 10.2210/pdb4rui/pdb
PDB entry 4rui coloured by chain, front view.
PDB entry 4rui coloured by chain, side view.
PDB entry 4rui coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural and biophysical characterization of human cytochromes P450 2B6 and 2A6 bound to volatile hydrocarbons: analysis and comparison.
Shah MB, Wilderman PR, Liu J, Jang HH, Zhang Q, Stout CD, Halpert JR
Mol Pharmacol 87 649-59 (2015)
PMID: 25585967

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-145860 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cytochrome P450 2A6 Chains: A, B, C, D, E, F
Molecule details ›
Chains: A, B, C, D, E, F
Length: 476 amino acids
Theoretical weight: 54.67 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P11509 (Residues: 29-494; Coverage: 94%)
Gene names: CYP2A3, CYP2A6
Sequence domains: Cytochrome P450
Structure domains: Cytochrome P450

Ligands and Environments

2 bound ligands:
Ligand HEM 6 x HEM
Ligand SNE 6 x SNE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.1
Spacegroup: P1
Unit cell:
a: 62.74Å b: 132.97Å c: 133.03Å
α: 62.4° β: 99.06° γ: 80.93°
R-values:
R R work R free
0.2 0.197 0.261
Expression system: Escherichia coli

Quick links

Citations

9 citation in other articles

Halogen Substitution Influences Ketamine Metabolism by Cytochrome P450 2B6: In Vitro and Computational Approaches.
Wang et al. (2019)
8 more

1 mention without citation

Structural and biophysical characterization of human cytochromes P450 2B6 and 2A6 bound to volatile hydrocarbons: analysis and comparison.
Shah et al. (2015)