› 3ua5

X-ray diffraction
2.8Å resolution

Crystal Structure of P450 2B6 (Y226H/K262R) in complex with two molecules of Amlodipine

Released:
DOI: 10.2210/pdb3ua5/pdb
PDB entry 3ua5 coloured by chain, front view.
PDB entry 3ua5 coloured by chain, side view.
PDB entry 3ua5 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Conformational adaptation of human cytochrome P450 2B6 and rabbit cytochrome P450 2B4 revealed upon binding multiple amlodipine molecules.
Shah MB, Wilderman PR, Pascual J, Zhang Q, Stout CD, Halpert JR
Biochemistry 51 7225-38 (2012)
PMID: 22909231

Function and Biology Details

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

Structure analysis Details

Assemblies composition:
monomeric (preferred)
homo dimer
Assembly name:
PDBe Complex ID:
PDB-CPX-149066 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cytochrome P450 2B6 Chains: A, B
Molecule details ›
Chains: A, B
Length: 476 amino acids
Theoretical weight: 54.65 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli K-12
UniProt:
  • Canonical: P20813 (Residues: 20-491; Coverage: 96%)
Gene name: CYP2B6
Sequence domains: Cytochrome P450
Structure domains: Cytochrome P450

Ligands and Environments

2 bound ligands:
Ligand HEM 2 x HEM
Ligand 06X 4 x 06X
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL7-1
Spacegroup: P212121
Unit cell:
a: 58Å b: 78.3Å c: 247.34Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.245 0.242 0.294
Expression system: Escherichia coli K-12

Quick links

Citations

5 review citations

Structural diversity of eukaryotic membrane cytochrome p450s.
Johnson et al. (2013)
4 more

10 mentions without citation

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