› 7lyx

X-ray diffraction
2.6Å resolution

Crystal structure of human CYP8B1 in complex with (S)-tioconazole

Released:
DOI: 10.2210/pdb7lyx/pdb
PDB entry 7lyx coloured by chain, front view.
PDB entry 7lyx coloured by chain, side view.
PDB entry 7lyx coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
The structure and characterization of human cytochrome P450 8B1 supports future drug design for nonalcoholic fatty liver disease and diabetes.
Liu J, Carlson HA, Scott EE
OpenAccess logo J Biol Chem 298 102344 (2022)
PMID: 35944583

Function and Biology Details

Reaction catalysed: 
5-beta-cholestane-3-alpha,7-alpha-diol + [reduced NADPH--hemoprotein reductase] + O(2) = 5-beta-cholestane-3-alpha,7-alpha,12-alpha-triol + [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-194019 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
7-alpha-hydroxycholest-4-en-3-one 12-alpha-hydroxylase Chain: A
Molecule details ›
Chain: A
Length: 489 amino acids
Theoretical weight: 57.13 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9UNU6 (Residues: 26-501; Coverage: 95%)
Gene names: CYP12, CYP8B1
Sequence domains: Cytochrome P450

Ligands and Environments

4 bound ligands:
Ligand HEM 1 x HEM
Ligand YHM 1 x YHM
Ligand GOL 1 x GOL
Ligand K 1 x K
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-G
Spacegroup: P212121
Unit cell:
a: 58.344Å b: 89.234Å c: 107.984Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.217 0.214 0.269
Expression system: Escherichia coli

Quick links

Citations

1 review citation

Recombinant Technologies Facilitate Drug Metabolism, Pharmacokinetics, and General Biomedical Research.
Cronin et al. (2023)
2 other articles

2 mentions without citation

The structure and characterization of human cytochrome P450 8B1 supports future drug design for nonalcoholic fatty liver disease and diabetes.
Liu et al. (2022)
1 more