MolNFT v1 · #114684 · protein
Crystal structure of thermoanaerobacterium xylanolyticum GH116 beta- glucosidase with glucose
5BX5 · Beta-glucosidase: “Crystal structure of thermoanaerobacterium xylanolyticum GH116 beta- glucosidase with glucose”. X-ray diffraction, 2 ligands (BGC, CA), 4 pockets (best druggability 0.52). MolNFT v1 #114684 on GenesisL1: 3D…
- PDB
- 5BX5
- Type
- protein
- Length
- 769 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-glucosidase
- EC
- 3.2.1.21
- UniProt
- F6BL85
- Ligands
- BGC, CA
- Pockets
- 4 · best druggability 0.52
Structure
x-ray diffraction · 1 distinct chain · 31% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-glucosidase (EC 3.2.1.21) | protein | 769 | 31% helix, 23% strand | F6BL85 |
Ligands and binding sites
- BGC · beta-D-glucopyranose · sugar · chains A
- CA · Calcium ion · metal · chains A
- GOL · Glycerol · additive · 11 copies · chains A
- EDO · 1,2-ethanediol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 150 | 0.52 | 0.80 | 27 | BGC, GOL |
| 2 | 123 | 0.42 | 0.76 | 21 | empty |
| 3 | 89 | 0.35 | 0.74 | 24 | GOL |
| 4 | 60 | 0.34 | 0.77 | 15 | GOL |
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 F6BL85
- Elsewhere: RCSB PDB 5BX5 · PDBe 5BX5 · UniProt F6BL85
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