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 Q113V7

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7WAE	Download	Experimental	e7waeA2 e7waeA3 e7waeB2 e7waeB3 e7waeC2 e7waeD2	P-loop domains-like MurD-like peptide ligases, peptide-binding domain P-loop domains-like MurD-like peptide ligases, peptide-binding domain P-loop domains-like P-loop domains-like	LigPlot
7WAD	Download	Experimental	e7wadA2 e7wadB2 e7wadC2 e7wadD2	P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like	LigPlot
7WAF	Download	Experimental	e7wafA2 e7wafA3 e7wafB2 e7wafB3 e7wafC2 e7wafD2	P-loop domains-like MurD-like peptide ligases, peptide-binding domain P-loop domains-like MurD-like peptide ligases, peptide-binding domain P-loop domains-like P-loop domains-like	LigPlot