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 P35998

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5VFP	Download	Experimental	e5vfpA1 e5vfpA3 e5vfpB1 e5vfpA1 e5vfpF2 e5vfpF3	Histone-like P-loop domains-like P-loop domains-like Histone-like P-loop domains-like Histone-like	LigPlot
6WJN	Download	Experimental	e6wjnA1 e6wjnA2 e6wjnF1 e6wjnF3 e6wjnA1 e6wjnA2	P-loop domains-like Histone-like P-loop domains-like Histone-like P-loop domains-like Histone-like	LigPlot
5VFR	Download	Experimental	e5vfrA1 e5vfrA3	P-loop domains-like Histone-like	LigPlot
5VFS	Download	Experimental	e5vfsB3 e5vfsA1 e5vfsA2 e5vfsA2 e5vfsF1 e5vfsF3	P-loop domains-like P-loop domains-like Histone-like Histone-like P-loop domains-like Histone-like	LigPlot
5VFQ	Download	Experimental	e5vfqA1 e5vfqA2 e5vfqB1 e5vfqA2 e5vfqF1 e5vfqF3	P-loop domains-like Histone-like P-loop domains-like Histone-like Histone-like P-loop domains-like	LigPlot