X-ray diffraction
2.35Å resolution

X-ray structure of CYP51 from Trypanosoma cruzi in complex with fluconazole in alternative conformation


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:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Entry contents:
1 distinct polypeptide molecule
Sterol 14-alpha demethylase Chains: A, B
Molecule details ›
Chains: A, B
Length: 473 amino acids
Theoretical weight: 54.12 KDa
Source organism: Trypanosoma cruzi
Expression system: Escherichia coli
  • Canonical: Q7Z1V1 (Residues: 22-481; Coverage: 96%)
Gene names: CYP51, Tc00.1047053506297.260, Tc00.1047053510101.50
Sequence domains: Cytochrome P450
Structure domains: Cytochrome P450

Ligands and Environments

2 bound ligands:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.3.1
Spacegroup: P21
Unit cell:
a: 74.858Å b: 92.574Å c: 78.277Å
α: 90° β: 102.14° γ: 90°
R R work R free
0.22 0.217 0.275
Expression system: Escherichia coli