Structure of CYP51 from the pathogen candida glabrata

Structure

x-ray diffraction · 1 distinct chain · 52% helix, 11% strand (DSSP).

Ligands and binding sites

• HEM · Protoporphyrin IX containing Fe · ligand · chains A
• 1YN · 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one · ligand · chains A
• CL · Chloride ion · ion · 2 copies · chains A
• PGE · Triethylene glycol · additive · chains A
• 1PE · Pentaethylene glycol · additive · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Compared structures

• 5JLC · Structure of CYP51 from the pathogen Candida glabrata · the same entry in another collection · chain A against A, TM-score 1.00
• P50859 · AlphaFold monomer V2.0 prediction for lanosterol 14-alpha demethylase (P50859) · a predicted model of the same protein · chain A against A, TM-score 0.97

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt P50859
• Elsewhere: RCSB PDB 5JLC · PDBe 5JLC · UniProt P50859