Research workbench
Complex between the human thiamine triphosphatase and triphosphate
Analyse Complex between the human thiamine triphosphatase and triphosphate in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3TVL
- Type
- protein
- Length
- 403 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thiamine-triphosphatase
- EC
- 3.6.1.28
- UniProt
- Q9BU02
- Ligands
- 3PO
- Pockets
- 4 · best druggability 0.68
Structure
x-ray diffraction · 2 distinct chains · 32% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Thiamine-triphosphatase (EC 3.6.1.28) | protein | 204 | 31% helix, 36% strand | Q9BU02 |
| B | Thiamine-triphosphatase (EC 3.6.1.28) | protein | 199 | 33% helix, 36% strand | Q9BU02 |
Ligands and binding sites
- 3PO · Triphosphate · ligand · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 358 | 0.68 | 0.82 | 48 | 3PO |
| 2 | 338 | 0.68 | 0.82 | 55 | 3PO |
| 3 | 185 | 0.51 | 0.78 | 23 | empty |
| 4 | 93 | 0.51 | 0.83 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 768 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 3TVL · Complex between the human thiamine triphosphatase and triphosphate · the same entry in another collection · chain A against A, TM-score 1.00
- Q9BU02 · AlphaFold monomer V2.0 prediction for thiamine-triphosphatase (Q9BU02) · 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 Q9BU02
- Elsewhere: RCSB PDB 3TVL · PDBe 3TVL · UniProt Q9BU02
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