› 4gqs

X-ray diffraction
2.87Å resolution

Structure of Human Microsomal Cytochrome P450 (CYP) 2C19

Released:
DOI: 10.2210/pdb4gqs/pdb
PDB entry 4gqs coloured by chain, front view.
PDB entry 4gqs coloured by chain, side view.
PDB entry 4gqs coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural characterization of human cytochrome P450 2C19: active site differences between P450s 2C8, 2C9, and 2C19.
Reynald RL, Sansen S, Stout CD, Johnson EF
J Biol Chem 287 44581-91 (2012)
PMID: 23118231

Function and Biology Details

Reactions catalysed: 
RH + [reduced NADPH--hemoprotein reductase] + O(2) = ROH + [oxidized NADPH--hemoprotein reductase] + H(2)O
(S)-limonene + [reduced NADPH--hemoprotein reductase] + O(2) = (-)-trans-carveol + [oxidized NADPH--hemoprotein reductase] + H(2)O
(S)-limonene + [reduced NADPH--hemoprotein reductase] + O(2) = (-)-perillyl alcohol + [oxidized NADPH--hemoprotein reductase] + H(2)O
(+)-(R)-limonene + [reduced NADPH--hemoprotein reductase] + O(2) = (+)-trans-carveol + [oxidized NADPH--hemoprotein reductase] + H(2)O
Fenbendazole + [reduced NADPH--hemoprotein reductase] + O(2) = 4'-hydroxyfenbendazole + [oxidized NADPH--hemoprotein reductase] + H(2)O
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-152569 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cytochrome P450 2C19 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 477 amino acids
Theoretical weight: 54.58 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli DH5[alpha]
UniProt:
  • Canonical: P33261 (Residues: 23-489; Coverage: 95%)
Gene name: CYP2C19
Sequence domains: Cytochrome P450
Structure domains: Cytochrome P450

Ligands and Environments


Cofactor: Ligand HEM 4 x HEM
2 bound ligands:
Ligand 0XV 4 x 0XV
Ligand GOL 3 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL11-1
Spacegroup: R32
Unit cell:
a: 159.189Å b: 159.189Å c: 450.027Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.25 0.25 0.296
Expression system: Escherichia coli DH5[alpha]

Quick links

Citations

10 review citations

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

39 mentions without citation

Cytochrome P450: Polymorphisms and Roles in Cancer, Diabetes and Atherosclerosis
Elfaki et al. (2018)
38 more