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 A0A045JSR5

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6DJU	Download	Experimental	e6djuA1 e6djuA3 e6djuB3 e6djuB1 e6djuB3 e6djuC1 e6djuD4 e6djuC3 e6djuC4 e6djuD2 e6djuD3 e6djuE1 e6djuE2 e6djuF3 e6djuA1 e6djuA3 e6djuF2 e6djuF4	Histone-like P-loop domains-like P-loop domains-like Histone-like P-loop domains-like P-loop domains-like P-loop domains-like Histone-like P-loop domains-like Histone-like P-loop domains-like Histone-like P-loop domains-like P-loop domains-like Histone-like P-loop domains-like P-loop domains-like Histone-like	LigPlot
6DJV	Download	Experimental	e6djvA1 e6djvA4 e6djvB3 e6djvB2 e6djvB3 e6djvC2 e6djvC2 e6djvC4 e6djvD3 e6djvD2 e6djvD3 e6djvE2 e6djvE4 e6djvA4 e6djvF3 e6djvF4	Histone-like P-loop domains-like P-loop domains-like Histone-like P-loop domains-like P-loop domains-like P-loop domains-like Histone-like P-loop domains-like Histone-like P-loop domains-like Histone-like P-loop domains-like P-loop domains-like Histone-like P-loop domains-like	LigPlot