MolNFT v1 · #53945 · protein
Crystal structure of trehalose synthase tret mutant E326A from P.HORIKOSHII in complex with udpg
2XA2 · Trehalose-synthase tret: “Crystal structure of trehalose synthase tret mutant E326A from P.HORIKOSHII in complex with udpg”. X-ray diffraction, 1 ligand (UPG), 4 pockets (best druggability 0.73). MolNFT v1 #53945 on GenesisL1: 3D…
- PDB
- 2XA2
- Type
- protein
- Length
- 824 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Trehalose-synthase tret
- UniProt
- O58762
- Ligands
- UPG
- Pockets
- 4 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 47% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Trehalose-synthase tret | protein | 412 | 47% helix, 14% strand | O58762 |
Ligands and binding sites
- UPG · Uridine-5'-diphosphate-glucose · ligand · 2 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1040 | 0.73 | 0.76 | 71 | empty |
| 2 | 974 | 0.72 | 0.76 | 73 | UPG |
| 3 | 908 | 0.72 | 0.77 | 65 | UPG |
| 4 | 66 | 0.31 | 0.74 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 337 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 2XA2 · Crystal structure of trehalose synthase TreT mutant E326A from P. horikoshii in complex… · the same entry in another collection · chain A against A, TM-score 1.00
- O58762 · AlphaFold monomer V2.0 prediction for trehalose synthase (O58762) · a predicted model of the same protein · 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 O58762
- Elsewhere: RCSB PDB 2XA2 · PDBe 2XA2 · UniProt O58762
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