MolNFT v1 · #24292 · protein
Trehalose-6-phosphate from E. COLI bound with udp-2-fluoro glucose.
1UQT · Alpha, alpha-trehalose-phosphate synthase: “Trehalose-6-phosphate from E. COLI bound with udp-2-fluoro glucose.”. X-ray diffraction, 1 ligand (U2F), 6 pockets (best druggability 0.77). MolNFT v1 #24292 on GenesisL1: 3D structure…
- PDB
- 1UQT
- Type
- protein
- Length
- 902 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alpha, alpha-trehalose-phosphate synthase
- EC
- 2.4.1.15
- UniProt
- P31677
- Ligands
- U2F
- Pockets
- 6 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 48% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alpha, alpha-trehalose-phosphate synthase (EC 2.4.1.15) | protein | 452 | 48% helix, 20% strand | P31677 |
| B | Alpha, alpha-trehalose-phosphate synthase (EC 2.4.1.15) | protein | 450 | 48% helix, 19% strand | P31677 |
Ligands and binding sites
- U2F · Uridine-5'-diphosphate-2-deoxy-2-fluoro-alpha-D-glucose · ligand · 2 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 815 | 0.77 | 0.81 | 52 | U2F |
| 2 | 775 | 0.74 | 0.79 | 46 | U2F |
| 3 | 385 | 0.64 | 0.78 | 42 | empty |
| 4 | 100 | 0.45 | 0.79 | 17 | empty |
| 5 | 110 | 0.42 | 0.77 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 1082 Ų buried · 18 hydrogen bonds · protein-protein
Compared structures
- 1UQT · Trehalose-6-phosphate from E. coli bound with UDP-2-fluoro glucose. · the same entry in another collection · chain A against A, TM-score 1.00
- P31677 · AlphaFold monomer V2.0 prediction for trehalose-6-phosphate synthase (P31677) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 P31677
- Elsewhere: RCSB PDB 1UQT · PDBe 1UQT · UniProt P31677
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