› 2wx2

X-ray diffraction
2.27Å resolution

X-RAY STRUCTURE OF CYP51 FROM THE HUMAN PATHOGEN TRYPANOSOMA CRUZI IN COMPLEX WITH FLUCONAZOLE

Released:
DOI: 10.2210/pdb2wx2/pdb
PDB entry 2wx2 coloured by chain, front view.
PDB entry 2wx2 coloured by chain, side view.
PDB entry 2wx2 coloured by chain, top view.
Source organism: Trypanosoma cruzi
Primary publication:
Structural characterization of CYP51 from Trypanosoma cruzi and Trypanosoma brucei bound to the antifungal drugs posaconazole and fluconazole.
Chen CK, Leung SS, Guilbert C, Jacobson MP, McKerrow JH, Podust LM
OpenAccess logo PLoS Negl Trop Dis 4 e651 (2010)
PMID: 20386598

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-566360 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
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
UniProt:
  • 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:
Ligand HEM 2 x HEM
Ligand TPF 2 x TPF
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.3.1
Spacegroup: P21
Unit cell:
a: 69.993Å b: 101.472Å c: 74.729Å
α: 90° β: 111.63° γ: 90°
R-values:
R R work R free
0.197 0.193 0.273
Expression system: Escherichia coli

Quick links

Citations

16 review citations

Fungal cytochrome P450 sterol 14α-demethylase (CYP51) and azole resistance in plant and human pathogens.
Becher et al. (2012)
15 more

10 mentions without citation

Challenges in the chemotherapy of Chagas disease: Looking for possibilities related to the differences and similarities between the parasite and host.
Sueth-Santiago et al. (2017)
9 more