PDBe 4bjk

X-ray diffraction
2.67Å resolution

CYP51 of Trypanosoma brucei bound to (S)-N-(3-(1H-indol-3-yl)-1-oxo-1- (pyridin-4-ylamino)propan-2-yl)-3,3'-difluoro-(1,1'-biphenyl)-4- carboxamide

Released:

Function and Biology Details

Reaction catalysed:
A 14-alpha-methylsteroid + 3 O(2) + 3 NADPH = a Delta(14)-steroid + formate + 3 NADP(+) + 4 H(2)O. 
Biochemical function:
Biological process:
Cellular component:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Lanosterol 14-alpha-demethylase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 469 amino acids
Theoretical weight: 53 KDa
Source organism: Trypanosoma brucei
Expression system: Escherichia coli
UniProt:
  • Canonical: Q385E8 (Residues: 32-481; Coverage: 94%)
Gene name: Tb11.02.4080
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: C2
Unit cell:
a: 199.291Å b: 114.671Å c: 136.221Å
α: 90° β: 132.47° γ: 90°
R-values:
R R work R free
0.198 0.194 0.274
Expression system: Escherichia coli