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 A0A1U7R319

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5YW7	Download	Experimental	e5yw7B1 e5yw7B4	P-loop domains-like Type II ABC exporter transmembrane domain fold	LigPlot
5YKG	Download	Experimental	e5ykgB1 e5ykgB3 e5ykgD1 e5ykgD3 e5ykgF2 e5ykgF3 e5ykgH1 e5ykgH3	P-loop domains-like Type II ABC exporter transmembrane domain fold P-loop domains-like Type II ABC exporter transmembrane domain fold P-loop domains-like Type II ABC exporter transmembrane domain fold P-loop domains-like Type II ABC exporter transmembrane domain fold	LigPlot
5YWA	Download	Experimental	e5ywaB1 e5ywaB3 e5ywaD2 e5ywaD3 e5ywaF1 e5ywaF3 e5ywaH2 e5ywaH3	P-loop domains-like Type II ABC exporter transmembrane domain fold P-loop domains-like Type II ABC exporter transmembrane domain fold P-loop domains-like Type II ABC exporter transmembrane domain fold P-loop domains-like Type II ABC exporter transmembrane domain fold	LigPlot
5YKF	Download	Experimental	e5ykfB1 e5ykfB3 e5ykfD2 e5ykfD3 e5ykfF2 e5ykfF3 e5ykfH1 e5ykfH3	P-loop domains-like Type II ABC exporter transmembrane domain fold P-loop domains-like Type II ABC exporter transmembrane domain fold P-loop domains-like Type II ABC exporter transmembrane domain fold P-loop domains-like Type II ABC exporter transmembrane domain fold	LigPlot
5YW8	Download	Experimental	e5yw8B2 e5yw8B3 e5yw8D2 e5yw8D3 e5yw8F1 e5yw8F3 e5yw8H1 e5yw8H3	P-loop domains-like Type II ABC exporter transmembrane domain fold P-loop domains-like Type II ABC exporter transmembrane domain fold P-loop domains-like Type II ABC exporter transmembrane domain fold P-loop domains-like Type II ABC exporter transmembrane domain fold	LigPlot
5YW9	Download	Experimental	e5yw9B1 e5yw9B3 e5yw9D1 e5yw9D3 e5yw9F2 e5yw9F3 e5yw9H2 e5yw9H3	P-loop domains-like Type II ABC exporter transmembrane domain fold P-loop domains-like Type II ABC exporter transmembrane domain fold P-loop domains-like Type II ABC exporter transmembrane domain fold P-loop domains-like Type II ABC exporter transmembrane domain fold	LigPlot