Research workbench
Co-complex CYP46A1 with 7742 (SOTICLESTAT/TAK-935))
Analyse Co-complex CYP46A1 with 7742 (SOTICLESTAT/TAK-935)) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7LRL
- Type
- protein
- Length
- 436 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cholesterol 24-hydroxylase
- EC
- 1.14.14.25
- UniProt
- Q9Y6A2
- Ligands
- HEM, YBS
- Pockets
- 6 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 53% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cholesterol 24-hydroxylase (EC 1.14.14.25) | protein | 436 | 53% helix, 12% strand | Q9Y6A2 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · chains A
- YBS · [4-oxidanyl-4-(phenylmethyl)piperidin-1-yl]-(2-pyridin-4-ylpyridin-3-yl)methanone · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 700 | 0.86 | 0.90 | 79 | HEM, YBS |
| 2 | 168 | 0.60 | 0.83 | 20 | empty |
| 3 | 77 | 0.50 | 0.84 | 19 | empty |
| 4 | 114 | 0.42 | 0.76 | 26 | empty |
| 5 | 148 | 0.42 | 0.74 | 25 | 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 Q9Y6A2
- Elsewhere: RCSB PDB 7LRL · PDBe 7LRL · UniProt Q9Y6A2
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