› 4wmz

X-ray diffraction
2.05Å resolution

S. cerevisiae CYP51 complexed with fluconazole in the active site

Released:
DOI: 10.2210/pdb4wmz/pdb
PDB entry 4wmz coloured by chain, front view.
PDB entry 4wmz coloured by chain, side view.
PDB entry 4wmz coloured by chain, top view.
Source organism: Saccharomyces cerevisiae YJM789
Primary publication:
Structural Insights into Binding of the Antifungal Drug Fluconazole to Saccharomyces cerevisiae Lanosterol 14α-Demethylase.
Sagatova AA, Keniya MV, Wilson RK, Monk BC, Tyndall JD
Antimicrob Agents Chemother 59 4982-9 (2015)
PMID: 26055382

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:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-108182 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Lanosterol 14-alpha 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

2 bound ligands:
Ligand HEM 1 x HEM
Ligand TPF 1 x TPF
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Spacegroup: P21
Unit cell:
a: 77.24Å b: 65.21Å c: 81.02Å
α: 90° β: 98.43° γ: 90°
R-values:
R R work R free
0.2 0.199 0.232
Expression system: Saccharomyces cerevisiae

Quick links

Citations

14 review citations

The global problem of antifungal resistance: prevalence, mechanisms, and management.
Perlin et al. (2017)
13 more

31 mentions without citation

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