› 5eqb

X-ray diffraction
2.19Å resolution

Crystal structure of lanosterol 14-alpha demethylase with intact transmembrane domain bound to itraconazole

Released:
DOI: 10.2210/pdb5eqb/pdb
PDB entry 5eqb coloured by chain, front view.
PDB entry 5eqb coloured by chain, side view.
PDB entry 5eqb coloured by chain, top view.
Source organism: Saccharomyces cerevisiae S288C
Primary publication:
Architecture of a single membrane spanning cytochrome P450 suggests constraints that orient the catalytic domain relative to a bilayer.
Monk BC, Tomasiak TM, Keniya MV, Huschmann FU, Tyndall JD, O'Connell JD, Cannon RD, McDonald JG, Rodriguez A, Finer-Moore JS, Stroud RM
Proc Natl Acad Sci U S A 111 3865-70 (2014)
PMID: 24613931

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-145359 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Lanosterol 14-alpha demethylase CYP51 Chain: A
Molecule details ›
Chain: A
Length: 539 amino acids
Theoretical weight: 61.89 KDa
Source organism: Saccharomyces cerevisiae S288C
Expression system: Saccharomyces cerevisiae
UniProt:
  • Canonical: P10614 (Residues: 1-530; Coverage: 100%)
Gene names: CYP51, ERG11, YHR007C
Sequence domains: Cytochrome P450

Ligands and Environments

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

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.3.1
Spacegroup: P21
Unit cell:
a: 79.63Å b: 67.845Å c: 80.705Å
α: 90° β: 99.75° γ: 90°
R-values:
R R work R free
0.193 0.192 0.228
Expression system: Saccharomyces cerevisiae

Quick links

Citations

19 review citations

Clinical implications of globally emerging azole resistance in Aspergillus fumigatus.
Meis et al. (2016)
18 more

21 mentions without citation

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