› 3ld6

X-ray diffraction
2.8Å resolution

Crystal structure of human lanosterol 14alpha-demethylase (CYP51) in complex with ketoconazole

Released:
DOI: 10.2210/pdb3ld6/pdb
PDB entry 3ld6 coloured by chain, front view.
PDB entry 3ld6 coloured by chain, side view.
PDB entry 3ld6 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural basis of human CYP51 inhibition by antifungal azoles.
Strushkevich N, Usanov SA, Park HW
J Mol Biol 397 1067-78 (2010)
PMID: 20149798

Function and Biology Details

Reaction catalysed: 
(1a) a 14-alpha-methylsteroid + [reduced NADPH--hemoprotein reductase] + O(2) = a 14-alpha-hydroxysteroid + [oxidized NADPH--hemoprotein reductase] + H(2)O
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-172598 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (2 distinct):
Lanosterol 14-alpha demethylase Chains: A, B
Molecule details ›
Chains: A, B
Length: 461 amino acids
Theoretical weight: 52.77 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q16850 (Residues: 60-508; Coverage: 88%)
Gene names: CYP51, CYP51A1
Sequence domains: Cytochrome P450
Structure domains: Cytochrome P450

Ligands and Environments

Carbohydrate polymer : NEW Components: GLC
Carbohydrate polymer
2 bound ligands:
Ligand HEM 2 x HEM
Ligand KKK 2 x KKK
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: P4212
Unit cell:
a: 145.726Å b: 145.726Å c: 110.341Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.215 0.212 0.275
Expression system: Escherichia coli

Quick links

Citations

17 review citations

Biosynthesis of cholesterol and other sterols.
Nes WD. (2011)
16 more

43 mentions without citation

The Fungal CYP51s: Their Functions, Structures, Related Drug Resistance, and Inhibitors.
Zhang et al. (2019)
42 more