› › Structure analysis

Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(4-chlorophenyl)piperazin-1-yl)-2-fluorobenzamide.

X-ray diffraction
2.03Å resolution
PDB entry 4c28 coloured by chain, front view.
PDB entry 4c28 coloured by chain, side view.
PDB entry 4c28 coloured by chain, top view.
Source organism: Trypanosoma cruzi
Assembly composition:
monomeric (preferred)
Entry contents: 1 distinct polypeptide molecule

Quick links

Assemblies

Assembly 1 (preferred)
Download    3D Visualisation
Assembly Name: Sterol 14-alpha demethylase
hide full assembly name
Multimeric state: monomeric
Accessible surface area: 19120.11 Å2
Buried surface area: 1645.63 Å2
Dissociation area: 127.75 Å2
Dissociation energy (ΔGdiss): -1.65 kcal/mol
Dissociation entropy (TΔSdiss): -0.24 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-182234
Assembly 2
Download    3D Visualisation
Assembly Name: Sterol 14-alpha demethylase
hide full assembly name
Multimeric state: monomeric
Accessible surface area: 19346.56 Å2
Buried surface area: 1271.29 Å2
Dissociation area: 635.65 Å2
Dissociation energy (ΔGdiss): 19.73 kcal/mol
Dissociation entropy (TΔSdiss): 5.83 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-182234

Macromolecules

Sterol 14-alpha demethylase
Chains: A, B
Length: 467 amino acids
Theoretical weight: 53.3 KDa
Source organism: Trypanosoma cruzi
Expression system: Escherichia coli K-12
UniProt:
  • Canonical: Q7Z1V1 (Residues: 29-481; Coverage: 94%)
Gene names: CYP51, Tc00.1047053506297.260, Tc00.1047053510101.50
Pfam: Cytochrome P450
InterPro:
CATH: Cytochrome P450
Sterol 14-alpha demethylase in PDB entry 4c28, assembly 1, front view.
Sterol 14-alpha demethylase in PDB entry 4c28, assembly 1, side view.
Sterol 14-alpha demethylase in PDB entry 4c28, assembly 1, top view.
Molecule details ›

Search similar proteins

Quick links