Ligand name: PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER
PDB ligand accession: AGS
DrugBank: DB02930
PubChem: 440317;444377;
ChEMBL: CHEMBL131890
InChI Key: NLTUCYMLOPLUHL-KQYNXXCUSA-N
SMILES: c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Nucleosides, nucleotides, and analogues
    • Class: Purine nucleotides
      • Subclass: Purine ribonucleotides

List of PDB structures and/or AlphaFold models with target protein P54791

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6WGI	Download	Experimental	e6wgiD1 e6wgiA1 e6wgiA3 e6wgiD1 e6wgiD3	P-loop domains-like P-loop domains-like Histone-like P-loop domains-like Histone-like	LigPlot
6WGG	Download	Experimental	e6wggD3 e6wggA1 e6wggA3 e6wggD2 e6wggD3	P-loop domains-like P-loop domains-like Histone-like Histone-like P-loop domains-like	LigPlot
5V8F	Download	Experimental	e5v8fA1 e5v8fA2 e5v8fD1 e5v8fD1 e5v8fD2 e5v8fE1	P-loop domains-like Histone-like P-loop domains-like P-loop domains-like Histone-like P-loop domains-like	LigPlot
5ZR1	Download	Experimental	e5zr1D2 e5zr1A1 e5zr1A3 e5zr1D2 e5zr1D3	P-loop domains-like P-loop domains-like Histone-like P-loop domains-like Histone-like	LigPlot
7MCA	Download	Experimental	e7mcaD2 e7mcaD3	Histone-like P-loop domains-like	LigPlot
6WGC	Download	Experimental	e6wgcD1 e6wgcA1 e6wgcA3 e6wgcD1 e6wgcD3	P-loop domains-like P-loop domains-like Histone-like P-loop domains-like Histone-like	LigPlot