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The crystal structure of 6-phospho-beta-glucosidase from streptococcus mutans UA159 in complex with beta-D-glucose-6-phosphate.
Analyse The crystal structure of 6-phospho-beta-glucosidase from streptococcus mutans… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4F66
- Type
- protein
- Length
- 956 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative phospho-beta-glucosidase
- EC
- 3.2.1.86
- UniProt
- Q8DT00
- Ligands
- BG6
- Pockets
- 3 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Putative phospho-beta-glucosidase (EC 3.2.1.86) | protein | 478 | 41% helix, 15% strand | Q8DT00 |
Ligands and binding sites
- BG6 · 6-O-phosphono-beta-D-glucopyranose · sugar · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 4 copies · chains A, B
- FMT · Formic acid · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 250 | 0.85 | 0.97 | 38 | empty |
| 2 | 610 | 0.76 | 0.82 | 55 | BG6 |
| 3 | 605 | 0.75 | 0.82 | 47 | BG6 |
Interfaces
1 interface between chains.
- A–B · 1874 Ų buried · 25 hydrogen bonds · protein-protein
Compared structures
- 4F66 · The crystal structure of 6-phospho-beta-glucosidase from Streptococcus mutans UA159 in… · 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 Q8DT00
- Elsewhere: RCSB PDB 4F66 · PDBe 4F66 · UniProt Q8DT00
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