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 P0A6H1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4I81	Download	Experimental	e4i81A1 e4i81A2 e4i81B1 e4i81B2 e4i81D1 e4i81D2 e4i81E2 e4i81E3	P-loop domains-like Histone-like P-loop domains-like Histone-like P-loop domains-like Histone-like Histone-like P-loop domains-like	LigPlot
6WRF	Download	Experimental	e6wrfB1 e6wrfB2 e6wrfC2 e6wrfC1 e6wrfC2 e6wrfD1 e6wrfD1 e6wrfD2 e6wrfE1 e6wrfE2 e6wrfE1 e6wrfE2 e6wrfF2 e6wrfB2 e6wrfA1 e6wrfA2	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 P-loop domains-like Histone-like	LigPlot
6WSG	Download	Experimental	e6wsgB1 e6wsgB2 e6wsgC2 e6wsgC1 e6wsgC2 e6wsgD1 e6wsgD1 e6wsgD2 e6wsgE1 e6wsgE2 e6wsgE1 e6wsgE2 e6wsgF2 e6wsgF1 e6wsgF2	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 Histone-like P-loop domains-like Histone-like P-loop domains-like P-loop domains-like Histone-like P-loop domains-like	LigPlot