MolNFT v1 · #71413 · protein
Thioperamide complex of cytochrome P450 46A1
3MDM · Cholesterol 24-hydroxylase: “Thioperamide complex of cytochrome P450 46A1”. X-ray diffraction, 2 ligands (HEM, FJZ), 5 pockets (best druggability 0.85). MolNFT v1 #71413 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3MDM
- Type
- protein
- Length
- 435 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, FJZ
- Pockets
- 5 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 55% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cholesterol 24-hydroxylase (EC 1.14.13.98) | protein | 435 | 55% helix, 12% strand | Q9Y6A2 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · chains A
- FJZ · N-cyclohexyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 705 | 0.85 | 0.88 | 76 | HEM, FJZ |
| 2 | 115 | 0.59 | 0.85 | 26 | empty |
| 3 | 83 | 0.52 | 0.84 | 18 | empty |
| 4 | 111 | 0.40 | 0.76 | 27 | empty |
| 5 | 63 | 0.29 | 0.74 | 14 | 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 3MDM · PDBe 3MDM · UniProt Q9Y6A2
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