› 4zv8

X-ray diffraction
2.24Å resolution

Structure of CYP2B6 (Y226H/K262R) with additional mutation Y244W in complex with alpha-Pinene

Released:
DOI: 10.2210/pdb4zv8/pdb
PDB entry 4zv8 coloured by chain, front view.
PDB entry 4zv8 coloured by chain, side view.
PDB entry 4zv8 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Coumarin Derivatives as Substrate Probes of Mammalian Cytochromes P450 2B4 and 2B6: Assessing the Importance of 7-Alkoxy Chain Length, Halogen Substitution, and Non-Active Site Mutations.
Liu J, Shah MB, Zhang Q, Stout CD, Halpert JR, Wilderman PR
Biochemistry 55 1997-2007 (2016)
PMID: 26982502

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: 54.67 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

3 bound ligands:
Ligand HEM 1 x HEM
Ligand TMH 1 x TMH
Ligand CM5 2 x CM5
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL12-2
Spacegroup: P3221
Unit cell:
a: 77.24Å b: 77.24Å c: 204.25Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.172 0.169 0.232
Expression system: Escherichia coli

Quick links

Citations

3 review citations

CYP2J2 Molecular Recognition: A New Axis for Therapeutic Design.
Das et al. (2020)
2 more

2 mentions without citation

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