Research workbench
Toxic shock syndrome toxin-1 from staphylococcus aureus: ORTHORHOMBICC222(1) crystal form
Analyse Toxic shock syndrome toxin-1 from staphylococcus aureus: ORTHORHOMBICC222(1)… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2TSS
- Type
- protein
- Length
- 582 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Toxic shock syndrome toxin-1
- UniProt
- P06886
- Pockets
- 6 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 16% helix, 44% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Toxic shock syndrome toxin-1 | protein | 194 | 16% helix, 44% strand | P06886 |
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 968 | 0.80 | 0.82 | 82 | empty |
| 2 | 328 | 0.65 | 0.81 | 35 | empty |
| 3 | 78 | 0.41 | 0.79 | 16 | empty |
| 4 | 77 | 0.39 | 0.78 | 12 | empty |
| 5 | 61 | 0.36 | 0.78 | 12 | empty |
Interfaces
2 interfaces between chains.
- A–C · 1270 Ų buried · 24 hydrogen bonds · protein-protein
- A–B · 249 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 2TSS · Toxic shock syndrome toxin-1 from staphylococcus aureus: ORTHORHOMBICC222(1) crystal form · the same entry in another collection · chain A against A, TM-score 1.00
- P06886 · AlphaFold monomer V2.0 prediction for toxic shock syndrome toxin-1 (P06886) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 P06886
- Elsewhere: RCSB PDB 2TSS · PDBe 2TSS · UniProt P06886
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