MolNFT v1 · #4242 · protein
Crystal structure of aristolochene synthase from penicillium roqueforti
1DI1: “Crystal structure of aristolochene synthase from penicillium roqueforti”. X-ray diffraction, 5 pockets (best druggability 0.69). MolNFT v1 #4242 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1DI1
- 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
- Pockets
- 5 · 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 |
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 690 | 0.69 | 0.76 | 53 | empty |
| 2 | 620 | 0.67 | 0.76 | 47 | empty |
| 3 | 104 | 0.41 | 0.77 | 21 | empty |
| 4 | 83 | 0.38 | 0.77 | 20 | empty |
| 5 | 81 | 0.33 | 0.74 | 13 | empty |
Compared structures
- 1DI1 · Crystal structure of aristolochene synthase from penicillium roqueforti · the same entry in another collection · chain A against A, TM-score 1.00
- Q03471 · AlphaFold monomer V2.0 prediction for aristolochene synthase (Q03471) · a predicted model of the same protein · chain A against A, TM-score 0.92
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 1DI1 · PDBe 1DI1 · UniProt Q03471
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