MolNFT v1 · #189924 · protein
The structure of trichobrasilenol synthase TATC6 in complex with fspp
7W5H · Terpene cyclase 6: “The structure of trichobrasilenol synthase TATC6 in complex with fspp”. X-ray diffraction, 2 ligands (FPS, MG), 6 pockets (best druggability 0.77). MolNFT v1 #189924 on GenesisL1: 3D structure, binding sites and…
- PDB
- 7W5H
- Type
- protein
- Length
- 683 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Terpene cyclase 6
- EC
- 4.2.3.-, 4.2.3.104, 4.2.3.137, 4.2.3.157, 4.2.3.182, 4.2.3.57
- UniProt
- A0A5S9I252
- Ligands
- FPS, MG
- Pockets
- 6 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 68% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Terpene cyclase 6 (EC 4.2.3.-, 4.2.3.104, 4.2.3.137, 4.2.3.157, 4.2.3.182, 4.2.3.57) | protein | 343 | 68% helix, 3% strand | A0A5S9I252 |
| B | Terpene cyclase 6 (EC 4.2.3.-, 4.2.3.104, 4.2.3.137, 4.2.3.157, 4.2.3.182, 4.2.3.57) | protein | 340 | 68% helix, 3% strand | A0A5S9I252 |
Ligands and binding sites
- FPS · S-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] trihydrogen thiodiphosphate · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
- MLI · Malonate ion · additive · 2 copies · chains A, B
- GOL · Glycerol · additive · chains A
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 | 608 | 0.77 | 0.83 | 47 | FPS |
| 2 | 607 | 0.74 | 0.81 | 53 | FPS |
| 3 | 541 | 0.69 | 0.79 | 69 | empty |
| 4 | 167 | 0.51 | 0.78 | 14 | empty |
| 5 | 61 | 0.47 | 0.84 | 26 | empty |
Interfaces
1 interface between chains.
- A–B · 897 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 7W5H · The structure of trichobrasilenol synthase TaTC6 in complex with FsPP · the same entry in another collection · 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 A0A5S9I252
- Elsewhere: RCSB PDB 7W5H · PDBe 7W5H · UniProt A0A5S9I252
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