Research workbench
Crystal structure of the trehalulose synthase mutb in complex with trehalulose
Analyse Crystal structure of the trehalulose synthase mutb in complex with trehalulose in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4H8V
- Type
- protein
- Length
- 1,114 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sucrose isomerase
- EC
- 5.4.11.99
- UniProt
- Q2PS28
- Ligands
- TEU, CA
- Pockets
- 7 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 33% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Sucrose isomerase (EC 5.4.11.99) | protein | 557 | 33% helix, 18% strand | Q2PS28 |
Ligands and binding sites
- TEU · 1-O-alpha-D-glucopyranosyl-D-fructose · ligand · 2 copies · chains A, B
- CA · Calcium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 115 | 0.78 | 0.97 | 25 | TEU |
| 2 | 106 | 0.78 | 0.98 | 20 | TEU |
| 3 | 51 | 0.71 | 0.98 | 13 | empty |
| 4 | 315 | 0.61 | 0.78 | 41 | empty |
| 5 | 294 | 0.60 | 0.78 | 40 | empty |
Interfaces
1 interface between chains.
- A–B · 220 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 4H8V · Crystal structure of the trehalulose synthase MUTB in complex with trehalulose · 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 Q2PS28
- Elsewhere: RCSB PDB 4H8V · PDBe 4H8V · UniProt Q2PS28
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