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 P9WPD0

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6W6E	Download	Experimental	e6w6eA1 e6w6eA3 e6w6eB2 e6w6eB2 e6w6eB4 e6w6eC4 e6w6eC2 e6w6eC4 e6w6eD4 e6w6eD3 e6w6eD4 e6w6eE2 e6w6eE4 e6w6eF1 e6w6eA3 e6w6eF2 e6w6eF4	P-loop domains-like Histone-like P-loop domains-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 Histone-like P-loop domains-like P-loop domains-like Histone-like P-loop domains-like Histone-like	LigPlot
6W6I	Download	Experimental	e6w6iA1 e6w6iA2 e6w6iB2 e6w6iB2 e6w6iB3 e6w6iC2 e6w6iC2 e6w6iC3 e6w6iD2 e6w6iD1 e6w6iD2 e6w6iE3 e6w6iE4 e6w6iF2 e6w6iA1 e6w6iA2 e6w6iF1 e6w6iF3	Histone-like P-loop domains-like P-loop domains-like P-loop domains-like Histone-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
7L6N	Download	Experimental	e7l6nA2 e7l6nA3 e7l6nB1 e7l6nB1 e7l6nB3 e7l6nC1 e7l6nC3 e7l6nC2 e7l6nC4 e7l6nD2 e7l6nD1 e7l6nD4 e7l6nE1 e7l6nE4 e7l6nF4 e7l6nA3 e7l6nF1 e7l6nF3	P-loop domains-like Histone-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 P-loop domains-like Histone-like Histone-like P-loop domains-like P-loop domains-like Histone-like P-loop domains-like Histone-like	LigPlot
6W6J	Download	Experimental	e6w6jA1 e6w6jA2 e6w6jB3 e6w6jB2 e6w6jB3 e6w6jC1 e6w6jD2 e6w6jC3 e6w6jC4 e6w6jD1 e6w6jD4 e6w6jE1 e6w6jE3 e6w6jF4 e6w6jA1 e6w6jA2 e6w6jF1 e6w6jF2	P-loop domains-like Histone-like P-loop domains-like Histone-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like Histone-like Histone-like P-loop domains-like P-loop domains-like Histone-like P-loop domains-like P-loop domains-like Histone-like Histone-like P-loop domains-like	LigPlot
6W6H	Download	Experimental	e6w6hA1 e6w6hA4 e6w6hB2 e6w6hC4 e6w6hB2 e6w6hB4 e6w6hC3 e6w6hC4 e6w6hD1 e6w6hD1 e6w6hD2 e6w6hE3 e6w6hE4 e6w6hA2 e6w6hA3 e6w6hF3 e6w6hF4	Histone-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like Histone-like Histone-like P-loop domains-like P-loop domains-like P-loop domains-like Histone-like Histone-like P-loop domains-like P-loop domains-like Histone-like P-loop domains-like Histone-like	LigPlot
6W6G	Download	Experimental	e6w6gA1 e6w6gA3 e6w6gB3 e6w6gB2 e6w6gB3 e6w6gC4 e6w6gD1 e6w6gC1 e6w6gC4 e6w6gD1 e6w6gD3 e6w6gE1 e6w6gE3 e6w6gF4 e6w6gA1 e6w6gA3 e6w6gF1 e6w6gF3	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 P-loop domains-like P-loop domains-like Histone-like P-loop domains-like Histone-like P-loop domains-like P-loop domains-like Histone-like Histone-like P-loop domains-like	LigPlot