Research workbench
Crystal structure of beta toxin from staphylococcus aureus F277A, P278A mutant
Analyse Crystal structure of beta toxin from staphylococcus aureus F277A, P278A mutant in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3I41
- Type
- protein
- Length
- 580 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-hemolysin
- UniProt
- A7LAI8
- Pockets
- 6 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 20% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Beta-hemolysin | protein | 290 | 20% helix, 32% strand | A7LAI8 |
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 390 | 0.67 | 0.80 | 31 | empty |
| 2 | 243 | 0.65 | 0.83 | 33 | empty |
| 3 | 394 | 0.64 | 0.78 | 31 | empty |
| 4 | 115 | 0.40 | 0.75 | 26 | empty |
| 5 | 72 | 0.33 | 0.75 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 605 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 3I41 · Crystal structure of beta toxin from Staphylococcus aureus F277A, P278A mutant · 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 A7LAI8
- Elsewhere: RCSB PDB 3I41 · PDBe 3I41 · UniProt A7LAI8
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