MolNFT v1 · #48973 · protein
Crystal structure of human cytochrome P450 46A1
2Q9G: “Crystal structure of human cytochrome P450 46A1”. X-ray diffraction, 1 ligand (HEM), 6 pockets (best druggability 0.86). MolNFT v1 #48973 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2Q9G
- Type
- protein
- Length
- 422 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytochrome P450 46A1
- EC
- 1.14.13.98
- UniProt
- Q9Y6A2
- Ligands
- HEM
- Pockets
- 6 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 54% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cytochrome P450 46A1 (EC 1.14.13.98) | protein | 422 | 54% helix, 12% strand | Q9Y6A2 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · chains A
- GOL · Glycerol · additive · 2 copies · 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 | 699 | 0.86 | 0.90 | 68 | HEM |
| 2 | 83 | 0.56 | 0.86 | 15 | empty |
| 3 | 168 | 0.54 | 0.80 | 23 | empty |
| 4 | 132 | 0.41 | 0.74 | 20 | GOL |
| 5 | 83 | 0.37 | 0.76 | 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 2Q9G · PDBe 2Q9G · UniProt Q9Y6A2
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