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 Q2Z0T5

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6TMX	Download	Experimental	e6tmxA2 e6tmxA3 e6tmxB2 e6tmxB3 e6tmxC1 e6tmxC2 e6tmxD2 e6tmxD3 e6tmxE1 e6tmxE3 e6tmxF1 e6tmxF2 e6tmxG1 e6tmxG2 e6tmxH1 e6tmxH3 e6tmxI1 e6tmxI3 e6tmxJ1 e6tmxJ2 e6tmxK1 e6tmxK2 e6tmxL1 e6tmxL3 e6tmxM2 e6tmxM3 e6tmxN2 e6tmxN3	Zincin-like GroEL equatorial domain-like GroEL equatorial domain-like Zincin-like Zincin-like GroEL equatorial domain-like Zincin-like GroEL equatorial domain-like Zincin-like GroEL equatorial domain-like GroEL equatorial domain-like Zincin-like GroEL equatorial domain-like Zincin-like Zincin-like GroEL equatorial domain-like GroEL equatorial domain-like Zincin-like Zincin-like GroEL equatorial domain-like GroEL equatorial domain-like Zincin-like Zincin-like GroEL equatorial domain-like Zincin-like GroEL equatorial domain-like GroEL equatorial domain-like Zincin-like	LigPlot