Research workbench
Crystal structure of human cytochrome P450 CYP46A1 with fluvoxamine bound
Analyse Crystal structure of human cytochrome P450 CYP46A1 with fluvoxamine bound in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4ENH
- Type
- protein
- Length
- 426 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cholesterol 24-hydroxylase
- EC
- 1.14.13.98
- UniProt
- Q9Y6A2
- Ligands
- HEM, FVX
- 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 1.14.13.98) | protein | 426 | 53% helix, 12% strand | Q9Y6A2 |
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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 588 | 0.86 | 0.91 | 63 | HEM, FVX |
| 2 | 61 | 0.51 | 0.86 | 14 | empty |
| 3 | 139 | 0.51 | 0.80 | 21 | empty |
| 4 | 126 | 0.41 | 0.75 | 21 | empty |
| 5 | 75 | 0.31 | 0.74 | 18 | empty |
Compared structures
- 4ENH · Crystal Structure of Human Cytochrome P450 CYP46A1 with Fluvoxamine Bound · the same entry in another collection · chain A against A, TM-score 1.00
- Q9Y6A2 · AlphaFold monomer V2.0 prediction for cholesterol 24-hydroxylase (Q9Y6A2) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 4ENH · PDBe 4ENH · UniProt Q9Y6A2
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.