MolNFT v1 · #18962 · protein
Epothilone B-bound cytochrome P450EPOK
1Q5D · P450 epoxidase: “Epothilone B-bound cytochrome P450EPOK”. X-ray diffraction, 2 ligands (HEM, EPB), 7 pockets (best druggability 0.86). MolNFT v1 #18962 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1Q5D
- Type
- protein
- Length
- 401 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- P450 epoxidase
- UniProt
- Q9KIZ4
- Ligands
- HEM, EPB
- Pockets
- 7 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 53% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | P450 epoxidase | protein | 401 | 53% helix, 10% strand | Q9KIZ4 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · chains A
- EPB · 7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[1-methyl-2-(2-methyl-thiazol-4-yl)vinyl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 753 | 0.86 | 0.89 | 71 | HEM, EPB |
| 2 | 144 | 0.50 | 0.79 | 22 | empty |
| 3 | 118 | 0.38 | 0.74 | 17 | empty |
| 4 | 74 | 0.36 | 0.77 | 17 | empty |
| 5 | 51 | 0.34 | 0.78 | 13 | 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 Q9KIZ4
- Elsewhere: RCSB PDB 1Q5D · PDBe 1Q5D · UniProt Q9KIZ4
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