Research workbench
Saccharomyces cerevisiae CYP51 Y140F mutant complexed with posaconazole in the active site
Analyse Saccharomyces cerevisiae CYP51 Y140F mutant complexed with posaconazole in the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4ZE1
- 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, X2N
- Pockets
- 4 · 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 | 528 | 51% helix, 10% strand | A6ZSR0 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 885 | 0.87 | 0.89 | 79 | HEM, X2N |
| 2 | 285 | 0.61 | 0.79 | 40 | empty |
| 3 | 177 | 0.58 | 0.81 | 34 | empty |
| 4 | 140 | 0.47 | 0.77 | 23 | empty |
Compared structures
- 4ZE1 · Saccharomyces cerevisiae CYP51 Y140F mutant complexed with posaconazole in the active site · 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 4ZE1 · PDBe 4ZE1 · UniProt A6ZSR0
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