MolNFT v1 · #4219 · protein
Aristolochene synthase farnesol complex
1DGP: “Aristolochene synthase farnesol complex”. X-ray diffraction, 2 ligands (FOF, FOH), 6 pockets (best druggability 0.69). MolNFT v1 #4219 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1DGP
- Type
- protein
- Length
- 580 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aristolochene synthase
- EC
- 4.1.99.7
- UniProt
- Q03471
- Ligands
- FOF, FOH
- Pockets
- 6 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 71% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Aristolochene synthase (EC 4.1.99.7) | protein | 290 | 71% helix, 0% strand | Q03471 |
Ligands and binding sites
- FOF · (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol · ligand · 2 copies · chains A, B
- FOH · (2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 684 | 0.69 | 0.77 | 43 | FOF, FOH |
| 2 | 637 | 0.68 | 0.77 | 46 | FOF, FOH |
| 3 | 101 | 0.40 | 0.76 | 20 | empty |
| 4 | 83 | 0.38 | 0.77 | 20 | empty |
| 5 | 66 | 0.30 | 0.74 | 12 | 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 Q03471
- Elsewhere: RCSB PDB 1DGP · PDBe 1DGP · UniProt Q03471
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