Research workbench
Crystal structure of a beta-glucosidase from exiguobacterium marinum
Analyse Crystal structure of a beta-glucosidase from exiguobacterium marinum in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6WIU
- Type
- protein
- Length
- 7,059 residues
- Chains
- 16
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-glucosidase
- EC
- 3.2.1.21
- Pockets
- 20 · best druggability 0.81
Structure
x-ray diffraction · 11 distinct chains · 43% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, F, H | Beta-glucosidase (EC 3.2.1.21) | protein | 445 | 44% helix, 15% strand | — |
| B, G, J | Beta-glucosidase (EC 3.2.1.21) | protein | 444 | 43% helix, 17% strand | — |
| C, D | Beta-glucosidase (EC 3.2.1.21) | protein | 446 | 44% helix, 17% strand | — |
| E | Beta-glucosidase (EC 3.2.1.21) | protein | 447 | 43% helix, 16% strand | — |
| I | Beta-glucosidase (EC 3.2.1.21) | protein | 438 | 41% helix, 16% strand | — |
| K | Beta-glucosidase (EC 3.2.1.21) | protein | 412 | 41% helix, 14% strand | — |
| L | Beta-glucosidase (EC 3.2.1.21) | protein | 443 | 43% helix, 16% strand | — |
| M | Beta-glucosidase (EC 3.2.1.21) | protein | 438 | 44% helix, 16% strand | — |
| N | Beta-glucosidase (EC 3.2.1.21) | protein | 441 | 44% helix, 15% strand | — |
| O | Beta-glucosidase (EC 3.2.1.21) | protein | 438 | 43% helix, 16% strand | — |
| P | Beta-glucosidase (EC 3.2.1.21) | protein | 443 | 42% helix, 16% strand | — |
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 690 | 0.81 | 0.85 | 79 | empty |
| 2 | 1013 | 0.80 | 0.81 | 104 | empty |
| 3 | 1033 | 0.79 | 0.81 | 118 | empty |
| 4 | 1066 | 0.79 | 0.80 | 101 | empty |
| 5 | 1036 | 0.79 | 0.80 | 100 | empty |
Interfaces
37 interfaces between chains.
- G–H · 956 Ų buried · 16 hydrogen bonds · protein-protein
- K–L · 940 Ų buried · 15 hydrogen bonds · protein-protein
- M–N · 939 Ų buried · 16 hydrogen bonds · protein-protein
- O–P · 937 Ų buried · 13 hydrogen bonds · protein-protein
- I–J · 930 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 6WIU · Crystal structure of a beta-glucosidase from Exiguobacterium marinum · 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
- Elsewhere: RCSB PDB 6WIU · PDBe 6WIU
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