We've built a new version of this page with an interactive 3D viewer. Try it out in beta and help us improve:

8so2

X-ray diffraction
2.15Å resolution

Human CYP3A4 bound to a substrate

Released:
Model geometry
Fit model/data
Source organism: Homo sapiens

Function and Biology Details

Reactions catalysed:
an organic molecule + reduced [NADPH--hemoprotein reductase] + O2 =an alcohol + oxidized [NADPH--hemoprotein reductase] + H2O + H(+).
quinine + reduced [NADPH--hemoprotein reductase] + O2 = 3-hydroxyquinine+ oxidized [NADPH--hemoprotein reductase] + H2O + H(+).
1,8-cineole + reduced [NADPH--hemoprotein reductase] + O2 = 2-exo-hydroxy-1,8-cineole + oxidized [NADPH--hemoprotein reductase] + H2O +H(+).
(1) albendazole + reduced [NADPH--hemoprotein reductase] + O2 =albendazole S-oxide + oxidized [NADPH--hemoprotein reductase] + H2O +H(+).

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-140290 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cytochrome P450 3A4 Chain: A
Molecule details ›
Chain: A
Length: 487 amino acids
Theoretical weight: 55.76 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P08684 (Residues: 21-503; Coverage: 96%)
Gene names: CYP3A3, CYP3A4
Sequence domains: Cytochrome P450

Ligands and Environments


Cofactor: Ligand HEM 1 x HEM
1 bound ligand:
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: SSRL BEAMLINE BL9-2
Spacegroup: I222
Unit cell:
a: 77.909Å b: 100.58Å c: 132.53Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.211 0.209 0.253
Expression system: Escherichia coli BL21(DE3)