Research workbench
Structure of Salmonella TacT1 toxin bound to TacA1 antitoxin C-terminal peptide
Analyse Structure of Salmonella TacT1 toxin bound to TacA1 antitoxin C-terminal peptide in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7AK8
- Type
- protein
- Length
- 1,127 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.5
- Source
- Salmonella typhimurium
- Molecule
- GCN5 family acetyltransferase; TacA1 antitoxin peptide
- UniProt
- A0A0D6I609, A0A2J0RDY6
- Ligands
- ACO
- Pockets
- 15 · best druggability 0.78
Structure
x-ray diffraction · resolution 2.5 · 7 distinct chains · 37% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, E, F | GCN5 family acetyltransferase | protein | 149 | 32% helix, 33% strand | A0A0D6I609 |
| B | GCN5 family acetyltransferase | protein | 151 | 32% helix, 31% strand | A0A0D6I609 |
| C, D | GCN5 family acetyltransferase | protein | 150 | 32% helix, 33% strand | A0A0D6I609 |
| G | TacA1 antitoxin peptide | protein | 38 | 50% helix, 8% strand | A0A2J0RDY6 |
| H, I | TacA1 antitoxin peptide | protein | 39 | 49% helix, 5% strand | A0A2J0RDY6 |
| J, L | TacA1 antitoxin peptide | protein | 38 | 50% helix, 13% strand | A0A2J0RDY6 |
| K | TacA1 antitoxin peptide | protein | 37 | 51% helix, 8% strand | A0A2J0RDY6 |
Ligands and binding sites
- ACO · Acetyl coenzyme *A · ligand · 6 copies · chains A, H, B, C, E, J, D, I, F, K
- GOL · Glycerol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
15 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1148 | 0.78 | 0.80 | 79 | ACO |
| 2 | 348 | 0.66 | 0.80 | 36 | ACO |
| 3 | 333 | 0.62 | 0.78 | 40 | ACO |
| 4 | 259 | 0.61 | 0.80 | 38 | empty |
| 5 | 246 | 0.60 | 0.80 | 29 | ACO |
Interfaces
23 interfaces between chains.
- F–L · 1004 Ų buried · 19 hydrogen bonds · protein-protein
- A–G · 986 Ų buried · 17 hydrogen bonds · protein-protein
- D–J · 977 Ų buried · 18 hydrogen bonds · protein-protein
- E–K · 969 Ų buried · 18 hydrogen bonds · protein-protein
- C–I · 936 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 7AK8 · Structure of salmonella TACT1 toxin bound to TACA1 antitoxin C- terminal peptide · 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 A0A0D6I609
- Every structure of UniProt A0A2J0RDY6
- Elsewhere: RCSB PDB 7AK8 · PDBe 7AK8 · UniProt A0A0D6I609 · UniProt A0A2J0RDY6
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