MolNFT v1 · #117513 · protein
Saccharomyces cerevisiae CYP51 complexed with the plant pathogen inhibitor R-tebuconazole
5EAC · Lanosterol 14-alpha demethylase: “Saccharomyces cerevisiae CYP51 complexed with the plant pathogen inhibitor R-tebuconazole”. X-ray diffraction, 2 ligands (HEM, TBQ), 5 pockets (best druggability 0.87). MolNFT v1 #117513 on…
- PDB
- 5EAC
- Type
- protein
- Length
- 530 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lanosterol 14-alpha demethylase
- UniProt
- A6ZSR0
- Ligands
- HEM, TBQ
- Pockets
- 5 · best druggability 0.87
Structure
x-ray diffraction · 1 distinct chain · 51% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Lanosterol 14-alpha demethylase | protein | 530 | 51% helix, 10% strand | A6ZSR0 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · chains A
- TBQ · (3~{R})-1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol · 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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 920 | 0.87 | 0.88 | 81 | HEM, TBQ |
| 2 | 256 | 0.59 | 0.78 | 35 | empty |
| 3 | 171 | 0.55 | 0.80 | 37 | empty |
| 4 | 131 | 0.46 | 0.77 | 24 | empty |
| 5 | 68 | 0.29 | 0.74 | 15 | empty |
Compared structures
- 5EAC · Saccharomyces cerevisiae CYP51 complexed with the plant pathogen inhibitor R-tebuconazole · the same entry in another collection · chain A against A, TM-score 1.00
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 A6ZSR0
- Elsewhere: RCSB PDB 5EAC · PDBe 5EAC · UniProt A6ZSR0
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