MolNFT v1 · #136858 · protein
Structure of CYP51 from the pathogen candida albicans
5V5Z · Lanosterol 14-alpha demethylase: “Structure of CYP51 from the pathogen candida albicans”. X-ray diffraction, 2 ligands (HEM, 1YN), 4 pockets (best druggability 0.88). MolNFT v1 #136858 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5V5Z
- Type
- protein
- Length
- 488 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lanosterol 14-alpha demethylase
- EC
- 1.14.13.70
- UniProt
- P10613
- Ligands
- HEM, 1YN
- Pockets
- 4 · best druggability 0.88
Structure
x-ray diffraction · 1 distinct chain · 51% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Lanosterol 14-alpha demethylase (EC 1.14.13.70) | protein | 488 | 51% helix, 11% strand | P10613 |
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
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 | 849 | 0.88 | 0.90 | 72 | HEM, 1YN |
| 2 | 255 | 0.57 | 0.78 | 28 | empty |
| 3 | 193 | 0.51 | 0.77 | 26 | empty |
| 4 | 52 | 0.29 | 0.75 | 17 | empty |
Compared structures
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 P10613
- Elsewhere: RCSB PDB 5V5Z · PDBe 5V5Z · UniProt P10613
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