› 5ul0

X-ray diffraction
2.2Å resolution

S. CEREVISIAE CYP51 COMPLEXED WITH VT-1161

Released:
DOI: 10.2210/pdb5ul0/pdb
PDB entry 5ul0 coloured by chain, front view.
PDB entry 5ul0 coloured by chain, side view.
PDB entry 5ul0 coloured by chain, top view.
Source organism: Saccharomyces cerevisiae YJM789
Primary publication:
Azole Resistance Reduces Susceptibility to the Tetrazole Antifungal VT-1161.
Monk BC, Keniya MV, Sabherwal M, Wilson RK, Graham DO, Hassan HF, Chen D, Tyndall JDA
Antimicrob Agents Chemother 63 (2019)
PMID: 30397057

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: 528 amino acids
Theoretical weight: 60.59 KDa
Source organism: Saccharomyces cerevisiae YJM789
Expression system: Saccharomyces cerevisiae
UniProt:
  • Canonical: A6ZSR0 (Residues: 7-530; Coverage: 99%)
Gene names: ERG11, SCY_2394
Sequence domains: Cytochrome P450

Ligands and Environments

3 bound ligands:
Ligand HEM 1 x HEM
Ligand VT1 1 x VT1
Ligand 1PE 1 x 1PE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Spacegroup: P21
Unit cell:
a: 78.8Å b: 67.14Å c: 81.43Å
α: 90° β: 99.45° γ: 90°
R-values:
R R work R free
0.206 0.204 0.253
Expression system: Saccharomyces cerevisiae

Quick links

Citations

6 review citations

Highlighting membrane protein structure and function: A celebration of the Protein Data Bank.
Li et al. (2021)
5 more

6 mentions without citation

Roles for Structural Biology in the Discovery of Drugs and Agrochemicals Targeting Sterol 14α-Demethylases.
Monk et al. (2021)
5 more