Research workbench
Structure of beta-glycosidase from sulfolobus solfataricus in complex with 2-deoxy-2-fluoro-glucose
Analyse Structure of beta-glycosidase from sulfolobus solfataricus in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1UWS
- Type
- protein
- Length
- 968 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-galactosidase
- EC
- 3.2.1.23
- UniProt
- P22498
- Ligands
- G2F
- Pockets
- 2 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-galactosidase (EC 3.2.1.23) | protein | 483 | 41% helix, 17% strand | P22498 |
| B | Beta-galactosidase (EC 3.2.1.23) | protein | 485 | 41% helix, 18% strand | P22498 |
Ligands and binding sites
- G2F · 2-deoxy-2-fluoro-alpha-D-glucopyranose · ligand · 2 copies · chains B, A
- ACT · Acetate ion · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 685 | 0.71 | 0.78 | 73 | G2F |
| 2 | 612 | 0.70 | 0.78 | 60 | G2F |
Interfaces
1 interface between chains.
- A–B · 78 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 covalent (covalent ligand).
Compared structures
- 1UWS · Structure of beta-glycosidase from Sulfolobus solfataricus in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
- P22498 · AlphaFold monomer V2.0 prediction for beta-galactosidase (P22498) · a predicted model of the same protein · chain B 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 P22498
- Elsewhere: RCSB PDB 1UWS · PDBe 1UWS · UniProt P22498
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