› 5esl

X-ray diffraction
2.35Å resolution

Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) T322I mutant complexed with itraconazole

Released:
DOI: 10.2210/pdb5esl/pdb
PDB entry 5esl coloured by chain, front view.
PDB entry 5esl coloured by chain, side view.
PDB entry 5esl coloured by chain, top view.
Source organism: Saccharomyces cerevisiae YJM789
Entry authors: Sagatova A, Keniya MV, Wilson RK, Sabherwal M, Tyndall JDA, Monk BC

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: 61.9 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 1YN 1 x 1YN
Ligand HEM 1 x HEM
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Spacegroup: P21
Unit cell:
a: 77.09Å b: 65.39Å c: 80.78Å
α: 90° β: 98.42° γ: 90°
R-values:
R R work R free
0.212 0.21 0.266
Expression system: Saccharomyces cerevisiae

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