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Saccharomyces cerevisiae CYP51 complexed with the plant pathogen inhibitor prochloraz

Analyse Saccharomyces cerevisiae CYP51 complexed with the plant pathogen inhibitor… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5EAG
Type
protein
Length
528 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Lanosterol 14-alpha demethylase
UniProt
A6ZSR0
Ligands
5LU, HEM
Pockets
5 · best druggability 0.87

Structure

x-ray diffraction · 1 distinct chain · 50% helix, 10% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ALanosterol 14-alpha demethylaseprotein52850% helix, 10% strandA6ZSR0

Ligands and binding sites

  • 5LU · Prochloraz · ligand · chains A
  • HEM · Protoporphyrin IX containing Fe · ligand · chains A

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

Pockets

5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18520.870.89755LU, HEM
23030.590.7740empty
32110.570.7938empty
41570.490.7729empty
5520.360.7910empty

Compared structures

  • 5EAG · Saccharomyces cerevisiae CYP51 complexed with the plant pathogen inhibitor Prochloraz · the same entry in another collection · chain A against A, TM-score 1.00

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