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 Q56404

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7VAX	Download	Experimental	e7vaxC3 e7vaxC4 e7vaxE2 e7vaxE3 e7vaxB2 e7vaxB4 e7vaxD3	C-terminal domain of alpha and beta subunits of F1 ATP synthase P-loop domains-like C-terminal domain of alpha and beta subunits of F1 ATP synthase P-loop domains-like C-terminal domain of alpha and beta subunits of F1 ATP synthase P-loop domains-like P-loop domains-like	LigPlot
7VAW	Download	Experimental	e7vawB1 e7vawB2 e7vawD2 e7vawC2 e7vawC3 e7vawE2 e7vawE3	P-loop domains-like C-terminal domain of alpha and beta subunits of F1 ATP synthase P-loop domains-like C-terminal domain of alpha and beta subunits of F1 ATP synthase P-loop domains-like C-terminal domain of alpha and beta subunits of F1 ATP synthase P-loop domains-like	LigPlot
7VB0	Download	Experimental	e7vb0B1 e7vb0B3 e7vb0D1 e7vb0C3 e7vb0C4 e7vb0E2 e7vb0E3	C-terminal domain of alpha and beta subunits of F1 ATP synthase P-loop domains-like P-loop domains-like P-loop domains-like C-terminal domain of alpha and beta subunits of F1 ATP synthase C-terminal domain of alpha and beta subunits of F1 ATP synthase P-loop domains-like	LigPlot
7VAY	Download	Experimental	e7vayB3 e7vayB4 e7vayD1 e7vayC3 e7vayC4 e7vayE1 e7vayE2	C-terminal domain of alpha and beta subunits of F1 ATP synthase P-loop domains-like P-loop domains-like C-terminal domain of alpha and beta subunits of F1 ATP synthase P-loop domains-like C-terminal domain of alpha and beta subunits of F1 ATP synthase P-loop domains-like	LigPlot