› 2wv2

X-ray diffraction
2.7Å resolution

X-ray structure of CYP51 from the human pathogen Trypanosoma brucei in complex with fluconazole

Released:
DOI: 10.2210/pdb2wv2/pdb
PDB entry 2wv2 coloured by chain, front view.
PDB entry 2wv2 coloured by chain, side view.
PDB entry 2wv2 coloured by chain, top view.
Source organism: Trypanosoma brucei
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

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-174342 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Lanosterol 14-alpha-demethylase Chain: A
Molecule details ›
Chain: A
Length: 475 amino acids
Theoretical weight: 53.98 KDa
Source organism: Trypanosoma brucei
Expression system: Escherichia coli
UniProt:
  • Canonical: Q385E8 (Residues: 22-481; Coverage: 96%)
Gene name: Tb11.02.4080
Sequence domains: Cytochrome P450
Structure domains: Cytochrome P450

Ligands and Environments


Cofactor: Ligand HEM 1 x HEM
1 bound ligand:
Ligand TPF 1 x TPF
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.3.1
Spacegroup: P3121
Unit cell:
a: 106.179Å b: 106.179Å c: 99.73Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.213 0.21 0.274
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

7 mentions without citation

The Potential of Secondary Metabolites from Plants as Drugs or Leads against Protozoan Neglected Diseases-Part III: In-Silico Molecular Docking Investigations.
Ogungbe et al. (2016)
6 more