8vk6

X-ray diffraction
1.89Å resolution

14alpha-demethylase (CYP51) with amide-linked long arm extension antifungal azole inhibitor

Released:
Model geometry
Fit model/data
Entry authors: Tyndall JDA, Monk BC, Simons C

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:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
monomeric (preferred)
PDBe Complex ID:
PDB-CPX-108182 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
sterol 14alpha-demethylase Chain: A
Molecule details ›
Chain: A
Length: 539 amino acids
Theoretical weight: 61.89 KDa
Source organism: Saccharomyces cerevisiae YJM789
Expression system: Saccharomyces cerevisiae
UniProt:
  • Canonical: A6ZSR0 (Residues: 1-530; Coverage: 100%)
Gene names: ERG11, SCY_2394
Sequence domains: Cytochrome P450

Ligands and Environments

No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Spacegroup: P21
Unit cell:
a: 76.686Å b: 65.537Å c: 80.962Å
α: 90° β: 98.5° γ: 90°
R-values:
R R work R free
0.197 0.196 0.226
Expression system: Saccharomyces cerevisiae