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Structure of salmonella TACT2 toxin bound to TACA2 antitoxin

Analyse Structure of salmonella TACT2 toxin bound to TACA2 antitoxin in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7AK7
Type
protein
Length
625 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Acetyltransferase; Copg family transcriptional regulator
UniProt
A0A0D6HSU7, A0A0D6HUM3
Ligands
ACO, CL
Pockets
8 · best druggability 0.76

Structure

x-ray diffraction · 6 distinct chains · 51% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAcetyltransferaseprotein15436% helix, 31% strandA0A0D6HSU7
BAcetyltransferaseprotein15436% helix, 31% strandA0A0D6HSU7
CCopg family transcriptional regulatorprotein8763% helix, 11% strandA0A0D6HUM3
DCopg family transcriptional regulatorprotein8660% helix, 12% strandA0A0D6HUM3
ECopg family transcriptional regulatorprotein7170% helix, 8% strandA0A0D6HUM3
FCopg family transcriptional regulatorprotein7368% helix, 8% strandA0A0D6HUM3

Ligands and binding sites

  • ACO · Acetyl coenzyme *A · ligand · 2 copies · chains A, C, B, D
  • CL · Chloride ion · ion · chains C

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

8 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15770.760.8384empty
22050.620.8227ACO
32040.600.8127ACO
41900.590.8122empty
51930.560.8026empty

Interfaces

15 interfaces between chains.

  • A–C · 2274 Ų buried · 30 hydrogen bonds · protein-protein
  • B–D · 2165 Ų buried · 29 hydrogen bonds · protein-protein
  • C–F · 1936 Ų buried · 18 hydrogen bonds · protein-protein
  • D–E · 1835 Ų buried · 22 hydrogen bonds · protein-protein
  • A–E · 902 Ų buried · 9 hydrogen bonds · protein-protein

Compared structures

  • 7AK7 · Structure of Salmonella TacT2 toxin bound to TacA2 antitoxin · the same entry in another collection · chain A against A, TM-score 1.00

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