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 P04530

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
8DVI	Download	Experimental	e8dviA1 e8dviB1 e8dviB1 e8dviC1 e8dviC1 e8dviD1 e8dviD1 e8dviE1 e8dviE1 e8dviF1	P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like	LigPlot
8DUE	Download	Experimental	e8dueA1 e8dueB1 e8dueB1 e8dueC1 e8dueC1 e8dueD1 e8dueD1 e8dueE1 e8dueE1 e8dueF1	P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like	LigPlot
8DTP	Download	Experimental	e8dtpA1 e8dtpB1 e8dtpB1 e8dtpC1 e8dtpC1 e8dtpD1 e8dtpD1 e8dtpE1 e8dtpE1 e8dtpF1	P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like	LigPlot
8DVF	Download	Experimental	e8dvfA1 e8dvfB1 e8dvfB1 e8dvfC1 e8dvfC1 e8dvfD1 e8dvfD1 e8dvfE1 e8dvfE1 e8dvfF1	P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like	LigPlot
8GAO	Download	Experimental	e8gaoA1 e8gaoB1 e8gaoB1 e8gaoC1 e8gaoC1 e8gaoD1 e8gaoD1 e8gaoE1 e8gaoE1 e8gaoF1	P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like	LigPlot
8DW6	Download	Experimental	e8dw6A1 e8dw6B1 e8dw6B1 e8dw6C1 e8dw6C1 e8dw6D1 e8dw6D1 e8dw6E1 e8dw6E1 e8dw6F1	P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like	LigPlot
8DUO	Download	Experimental	e8duoA1 e8duoB1 e8duoB1 e8duoC1 e8duoC1 e8duoD1 e8duoD1 e8duoE1 e8duoE1 e8duoF1	P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like	LigPlot