MolNFT v1 · #172968 · protein
Structure of salmonella TACT3 toxin bound to TACA3 antitoxin C- terminal peptide
7AK9 · Acetyltransferase: “Structure of salmonella TACT3 toxin bound to TACA3 antitoxin C- terminal peptide”. X-ray diffraction, 1 ligand (COD), 6 pockets (best druggability 0.60). MolNFT v1 #172968 on GenesisL1: 3D structure, binding…
- PDB
- 7AK9
- Type
- protein
- Length
- 397 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acetyltransferase; ABC transporter
- UniProt
- A0A0F7DJC6, A0A5K1TU10
- Ligands
- COD
- Pockets
- 6 · best druggability 0.60
Structure
x-ray diffraction · 3 distinct chains · 38% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acetyltransferase | protein | 162 | 36% helix, 31% strand | A0A0F7DJC6 |
| B | Acetyltransferase | protein | 163 | 36% helix, 30% strand | A0A0F7DJC6 |
| C, D | ABC transporter | protein | 36 | 58% helix, 0% strand | A0A5K1TU10 |
Ligands and binding sites
- COD · Dephospho coenzyme A · ligand · 2 copies · chains A, C, B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
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 | 324 | 0.60 | 0.77 | 38 | empty |
| 2 | 186 | 0.53 | 0.78 | 29 | COD |
| 3 | 189 | 0.50 | 0.76 | 28 | COD |
| 4 | 101 | 0.45 | 0.79 | 19 | empty |
| 5 | 58 | 0.34 | 0.78 | 17 | empty |
Interfaces
5 interfaces between chains.
- B–D · 1771 Ų buried · 15 hydrogen bonds · protein-protein
- A–C · 1698 Ų buried · 21 hydrogen bonds · protein-protein
- A–B · 1014 Ų buried · 9 hydrogen bonds · protein-protein
- A–D · 111 Ų buried · 0 hydrogen bonds · protein-protein
- B–C · 108 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 7AK9 · Structure of Salmonella TacT3 toxin bound to TacA3 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 A0A0F7DJC6
- Every structure of UniProt A0A5K1TU10
- Elsewhere: RCSB PDB 7AK9 · PDBe 7AK9 · UniProt A0A0F7DJC6 · UniProt A0A5K1TU10
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