MolNFT v1 · #144861 · protein
Structure of a complex between thaumatin and thioflavin T
6C6W · Thaumatin I: “Structure of a complex between thaumatin and thioflavin T”. X-ray diffraction, 1 ligand (TFX), 1 pocket (best druggability 0.57). MolNFT v1 #144861 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6C6W
- Type
- protein
- Length
- 207 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thaumatin I
- UniProt
- Q8RVT0
- Ligands
- TFX
- Pockets
- 1 · best druggability 0.57
Structure
x-ray diffraction · 1 distinct chain · 12% helix, 39% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Thaumatin I | protein | 207 | 12% helix, 39% strand | Q8RVT0 |
Ligands and binding sites
- TFX · 2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium · ligand · chains A
- TLA · L(+)-tartaric acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 53 | 0.57 | 0.90 | 21 | empty |
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 6C6W · Structure of a Complex Between Thaumatin and Thioflavin T · 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 Q8RVT0
- Elsewhere: RCSB PDB 6C6W · PDBe 6C6W · UniProt Q8RVT0
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