MolNFT v1 · #11197 · protein
Trichodiene synthase from fusarium sporotrichioides complexed with diphosphate
1JFG: “Trichodiene synthase from fusarium sporotrichioides complexed with diphosphate”. X-ray diffraction, 2 ligands (POP, MG), 6 pockets (best druggability 0.83). MolNFT v1 #11197 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 1JFG
- Type
- protein
- Length
- 708 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Trichodiene synthase
- EC
- 4.1.99.6
- UniProt
- P13513
- Ligands
- POP, MG
- Pockets
- 6 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 71% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Trichodiene synthase (EC 4.1.99.6) | protein | 354 | 71% helix, 0% strand | P13513 |
Ligands and binding sites
- POP · Pyrophosphate 2- · ligand · chains B
- MG · Magnesium ion · metal · 3 copies · chains B
- GOL · Glycerol · additive · 3 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, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 225 | 0.83 | 0.96 | 35 | MG, POP, GOL |
| 2 | 622 | 0.77 | 0.83 | 50 | GOL |
| 3 | 100 | 0.54 | 0.84 | 21 | empty |
| 4 | 174 | 0.51 | 0.78 | 24 | empty |
| 5 | 100 | 0.49 | 0.81 | 16 | empty |
Compared structures
- 1JFG · Trichodiene synthase from fusarium sporotrichioides complexed with diphosphate · the same entry in another collection · chain A against A, TM-score 1.00
- P13513 · AlphaFold monomer V2.0 prediction for trichodiene synthase (P13513) · a predicted model of the same protein · chain A against A, TM-score 1.00
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 P13513
- Elsewhere: RCSB PDB 1JFG · PDBe 1JFG · UniProt P13513
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