› 2vn0

X-ray diffraction
2.7Å resolution

CYP2C8DH COMPLEXED WITH TROGLITAZONE

Released:
DOI: 10.2210/pdb2vn0/pdb
PDB entry 2vn0 coloured by chain, front view.
PDB entry 2vn0 coloured by chain, side view.
PDB entry 2vn0 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Determinants of cytochrome P450 2C8 substrate binding: structures of complexes with montelukast, troglitazone, felodipine, and 9-cis-retinoic acid.
Schoch GA, Yano JK, Sansen S, Dansette PM, Stout CD, Johnson EF
J Biol Chem 283 17227-37 (2008)
PMID: 18413310

Function and Biology Details

Reaction catalysed: 
RH + [reduced NADPH--hemoprotein reductase] + O(2) = ROH + [oxidized NADPH--hemoprotein reductase] + H(2)O
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-536062 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cytochrome P450 2C8 Chain: A
Molecule details ›
Chain: A
Length: 476 amino acids
Theoretical weight: 54.05 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli DH5[alpha]
UniProt:
  • Canonical: P10632 (Residues: 19-490; Coverage: 96%)
  • Best match: P10632-2 (Residues: 4-9, 10-388)
Gene name: CYP2C8
Sequence domains: Cytochrome P450
Structure domains: Cytochrome P450

Ligands and Environments


Cofactor: Ligand HEM 1 x HEM
2 bound ligands:
Ligand TDZ 1 x TDZ
Ligand PLM 1 x PLM
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL9-1
Spacegroup: I222
Unit cell:
a: 74.2Å b: 136.09Å c: 163.24Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.218 0.218 0.254
Expression system: Escherichia coli DH5[alpha]

Quick links

Citations

20 review citations

Recent Structural Insights into Cytochrome P450 Function.
Guengerich et al. (2016)
19 more

9 mentions without citation

Structural features of cytochromes P450 and ligands that affect drug metabolism as revealed by X-ray crystallography and NMR.
Gay et al. (2010)
8 more