MolNFT v1 · #23138 · protein
Crystal structure of E96K mutated beta-glucosidase a from bacillus polymyxa, an enzyme with increased thermoresistance
1TR1: “Crystal structure of E96K mutated beta-glucosidase a from bacillus polymyxa, an enzyme with increased…”. X-ray diffraction, 8 pockets (best druggability 0.71). MolNFT v1 #23138 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 1TR1
- Type
- protein
- Length
- 1,788 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-glucosidase a
- EC
- 3.2.1.21
- UniProt
- P22073
- Pockets
- 8 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Beta-glucosidase a (EC 3.2.1.21) | protein | 447 | 44% helix, 17% strand | P22073 |
Ligands and binding sites
- GOL · Glycerol · additive · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 535 | 0.71 | 0.80 | 42 | GOL |
| 2 | 541 | 0.70 | 0.79 | 44 | GOL |
| 3 | 525 | 0.70 | 0.79 | 45 | GOL |
| 4 | 561 | 0.69 | 0.78 | 45 | GOL |
| 5 | 574 | 0.69 | 0.79 | 46 | empty |
Interfaces
4 interfaces between chains.
- B–C · 470 Ų buried · 8 hydrogen bonds · protein-protein
- A–D · 469 Ų buried · 7 hydrogen bonds · protein-protein
- C–D · 468 Ų buried · 7 hydrogen bonds · protein-protein
- A–B · 463 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 1TR1 · Crystal structure of E96K mutated beta-glucosidase a from bacillus polymyxa, an enzyme… · the same entry in another collection · chain D against D, TM-score 1.00
- P22073 · AlphaFold monomer V2.0 prediction for beta-glucosidase a (P22073) · a predicted model of the same protein · 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 P22073
- Elsewhere: RCSB PDB 1TR1 · PDBe 1TR1 · UniProt P22073
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