MolNFT v1 · #53747 · protein
Structure of beta-glucosidase 3B from thermotoga neapolitana in complex with alpha-D-glucose
2X42: “Structure of beta-glucosidase 3B from thermotoga neapolitana in complex with alpha-D-glucose”. X-ray diffraction, 2 ligands (GLC, BR), 5 pockets (best druggability 0.61). MolNFT v1 #53747 on GenesisL1: 3D structure, binding sites…
- PDB
- 2X42
- Type
- protein
- Length
- 715 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-glucosidase
- EC
- 3.2.1.21
- UniProt
- Q0GC07
- Ligands
- GLC, BR
- Pockets
- 5 · best druggability 0.61
Structure
x-ray diffraction · 1 distinct chain · 32% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-glucosidase (EC 3.2.1.21) | protein | 715 | 32% helix, 21% strand | Q0GC07 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 397 | 0.61 | 0.77 | 42 | empty |
| 2 | 102 | 0.54 | 0.84 | 25 | empty |
| 3 | 202 | 0.50 | 0.76 | 29 | GLC |
| 4 | 77 | 0.37 | 0.77 | 13 | empty |
| 5 | 80 | 0.37 | 0.77 | 19 | empty |
Compared structures
- 2X42 · Structure of beta-glucosidase 3B from Thermotoga neapolitana 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 Q0GC07
- Elsewhere: RCSB PDB 2X42 · PDBe 2X42 · UniProt Q0GC07
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