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 A0A2U2MES7

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7PBT	Download	Experimental	e7pbtA1 e7pbtA3 e7pbtF3 e7pbtA3 e7pbtB1 e7pbtB2 e7pbtB2 e7pbtC1 e7pbtC2	Histone-like P-loop domains-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	LigPlot
7PBR	Download	Experimental	e7pbrA1 e7pbrA2 e7pbrF3 e7pbrA2 e7pbrB1 e7pbrB2 e7pbrB1 e7pbrC1 e7pbrC3 e7pbrC3 e7pbrD1 e7pbrD2	Histone-like P-loop domains-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 P-loop domains-like P-loop domains-like Histone-like	LigPlot
7PBL	Download	Experimental	e7pblA1 e7pblA3 e7pblF1 e7pblA3 e7pblB2 e7pblB3 e7pblB2 e7pblC1 e7pblC2	Histone-like P-loop domains-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	LigPlot
7PBN	Download	Experimental	e7pbnA2 e7pbnB1 e7pbnB2 e7pbnB1 e7pbnC1 e7pbnC2	P-loop domains-like P-loop domains-like Histone-like P-loop domains-like Histone-like P-loop domains-like	LigPlot
7PBP	Download	Experimental	e7pbpA2 e7pbpB1 e7pbpB2 e7pbpB2 e7pbpC1 e7pbpC2 e7pbpC1 e7pbpD2 e7pbpD3	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	LigPlot
7PBO	Download	Experimental	e7pboA1 e7pboB1 e7pboB3 e7pboB3 e7pboC1 e7pboC3	P-loop domains-like Histone-like P-loop domains-like P-loop domains-like Histone-like P-loop domains-like	LigPlot
7PBQ	Download	Experimental	e7pbqA2 e7pbqA3 e7pbqF1 e7pbqA2 e7pbqB2 e7pbqB3 e7pbqB2 e7pbqC1 e7pbqC3 e7pbqC3 e7pbqD1 e7pbqD3	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 P-loop domains-like P-loop domains-like Histone-like	LigPlot
7PBS	Download	Experimental	e7pbsA1 e7pbsA2 e7pbsF2 e7pbsA2 e7pbsB2 e7pbsB3 e7pbsB3 e7pbsC2 e7pbsC3 e7pbsC3 e7pbsD2 e7pbsD3 e7pbsE1 e7pbsE2 e7pbsF2 e7pbsF3	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 P-loop domains-like Histone-like P-loop domains-like Histone-like P-loop domains-like P-loop domains-like Histone-like	LigPlot
7PBM	Download	Experimental	e7pbmA2 e7pbmA3 e7pbmF1 e7pbmA3 e7pbmB1 e7pbmB2 e7pbmB2 e7pbmC2 e7pbmC3	Histone-like P-loop domains-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	LigPlot