MolNFT v1 · #121326 · protein
Saccharomyces cerevisiae CYP51 (lanosterol 14-alpha demethylase) complexed with voriconazole
5HS1: “Saccharomyces cerevisiae CYP51 (lanosterol 14-alpha demethylase) complexed with voriconazole”. X-ray diffraction, 2 ligands (HEM, VOR), 6 pockets (best druggability 0.87). MolNFT v1 #121326 on GenesisL1: 3D structure, binding sites…
- PDB
- 5HS1
- 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
- HEM, VOR
- Pockets
- 6 · best druggability 0.87
Structure
x-ray diffraction · 1 distinct chain · 52% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Lanosterol 14-alpha demethylase | protein | 528 | 52% helix, 11% strand | A6ZSR0 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 641 | 0.87 | 0.91 | 62 | HEM, VOR |
| 2 | 261 | 0.62 | 0.80 | 29 | empty |
| 3 | 188 | 0.62 | 0.82 | 23 | empty |
| 4 | 204 | 0.56 | 0.79 | 37 | empty |
| 5 | 142 | 0.47 | 0.77 | 24 | empty |
Compared structures
- 5HS1 · Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) complexed with… · 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 5HS1 · PDBe 5HS1 · UniProt A6ZSR0
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