MolNFT v1 · #82310 · protein
Crystal structure of beta-glucosidase from termite neotermes koshunensis in complex with salicin
3VIL: “Crystal structure of beta-glucosidase from termite neotermes koshunensis in complex with salicin”. X-ray diffraction, 4 ligands (SA0, SA9, NA), 1 pocket (best druggability 0.70). MolNFT v1 #82310 on GenesisL1: 3D structure, binding…
- PDB
- 3VIL
- Type
- protein
- Length
- 472 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-glucosidase
- EC
- 3.2.1.21
- UniProt
- Q8T0W7
- Ligands
- SA0, SA9, NA, CL
- Pockets
- 1 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-glucosidase (EC 3.2.1.21) | protein | 472 | 45% helix, 16% strand | Q8T0W7 |
Ligands and binding sites
- SA0 · 2-(hydroxymethyl)phenyl beta-D-glucopyranoside · ligand · chains A
- SA9 · 2-(hydroxymethyl)phenol · ligand · chains A
- NA · Sodium ion · metal · chains A
- CL · Chloride ion · ion · 2 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
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 557 | 0.70 | 0.79 | 51 | SA0 |
Compared structures
- 3VIL · Crystal structure of beta-glucosidase from termite Neotermes koshunensis in complex with… · 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 Q8T0W7
- Elsewhere: RCSB PDB 3VIL · PDBe 3VIL · UniProt Q8T0W7
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