MolNFT v1 · #166069 · protein
Human sterol 14A-demethylase (CYP51) in complex with the substrate lanosterol
6UEZ · Lanosterol 14-alpha demethylase: “Human sterol 14A-demethylase (CYP51) in complex with the substrate lanosterol”. X-ray diffraction, 2 ligands (HEM, LAN), 12 pockets (best druggability 0.87). MolNFT v1 #166069 on GenesisL1: 3D…
- PDB
- 6UEZ
- Type
- protein
- Length
- 891 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lanosterol 14-alpha demethylase
- EC
- 1.14.14.154
- UniProt
- Q16850
- Ligands
- HEM, LAN
- Pockets
- 12 · best druggability 0.87
Structure
x-ray diffraction · 2 distinct chains · 53% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Lanosterol 14-alpha demethylase (EC 1.14.14.154) | protein | 446 | 53% helix, 12% strand | Q16850 |
| B | Lanosterol 14-alpha demethylase (EC 1.14.14.154) | protein | 445 | 53% helix, 12% strand | Q16850 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
- LAN · Lanosterol · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 655 | 0.87 | 0.90 | 57 | HEM, LAN |
| 2 | 640 | 0.86 | 0.90 | 58 | HEM, LAN |
| 3 | 1116 | 0.76 | 0.79 | 85 | empty |
| 4 | 114 | 0.65 | 0.89 | 34 | empty |
| 5 | 225 | 0.59 | 0.80 | 37 | empty |
Interfaces
1 interface between chains.
- A–B · 596 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 6UEZ · Human sterol 14a-demethylase (CYP51) in complex with the substrate lanosterol · the same entry in another collection · chain A against A, TM-score 1.00
- Q16850 · AlphaFold monomer V2.0 prediction for lanosterol 14-alpha demethylase (Q16850) · a predicted model of the same protein · chain A against A, TM-score 0.96
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 Q16850
- Elsewhere: RCSB PDB 6UEZ · PDBe 6UEZ · UniProt Q16850
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