MolNFT v1 · #78599 · protein
Structure of a three-domain sesquiterpene synthase: a prospective target for advanced biofuels production
3SDT · Alpha-bisabolene synthase: “Structure of a three-domain sesquiterpene synthase: a prospective target for advanced biofuels production”. X-ray diffraction, 3 ligands (AHD, MG, CL), 5 pockets (best druggability 0.88). MolNFT v1 #78599…
- PDB
- 3SDT
- Type
- protein
- Length
- 775 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alpha-bisabolene synthase
- EC
- 4.2.3.38
- UniProt
- O81086
- Ligands
- AHD, MG, CL
- Pockets
- 5 · best druggability 0.88
Structure
x-ray diffraction · 1 distinct chain · 66% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alpha-bisabolene synthase (EC 4.2.3.38) | protein | 775 | 66% helix, 1% strand | O81086 |
Ligands and binding sites
- AHD · 4-amino-1-hydroxybutane-1,1-diyldiphosphonate · ligand · chains A
- MG · Magnesium ion · metal · 3 copies · chains A
- CL · Chloride ion · ion · chains A
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1100 | 0.88 | 0.89 | 113 | GOL |
| 2 | 532 | 0.73 | 0.81 | 40 | MG, AHD |
| 3 | 363 | 0.62 | 0.78 | 29 | empty |
| 4 | 163 | 0.59 | 0.83 | 28 | empty |
| 5 | 54 | 0.29 | 0.75 | 14 | empty |
Compared structures
- 3SDT · Structure of a three-domain sesquiterpene synthase: a prospective target for advanced… · the same entry in another collection · chain A against A, TM-score 1.00
- O81086 · AlphaFold monomer V2.0 prediction for alpha-bisabolene synthase (O81086) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 O81086
- Elsewhere: RCSB PDB 3SDT · PDBe 3SDT · UniProt O81086
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.