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 P30665

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7PT6	Download	Experimental	e7pt642 e7pt671 e7pt673 e7pt642 e7pt645 e7pt664 e7pt6D2 e7pt6G3 e7pt6G5 e7pt6D2 e7pt6D5 e7pt6F1	P-loop domains-like P-loop domains-like Histone-like P-loop domains-like Histone-like P-loop domains-like P-loop domains-like P-loop domains-like Histone-like P-loop domains-like Histone-like P-loop domains-like	LigPlot
5V8F	Download	Experimental	e5v8f44 e5v8f43 e5v8f44	P-loop domains-like Histone-like P-loop domains-like	LigPlot
7V3U	Download	Experimental	e7v3u45 e7v3u71 e7v3u72 e7v3u43 e7v3u45 e7v3u62 e7v3uD4 e7v3uG3 e7v3uG5 e7v3uD1 e7v3uD4 e7v3uF5	P-loop domains-like P-loop domains-like Histone-like Histone-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like Histone-like Histone-like P-loop domains-like P-loop domains-like	LigPlot
7V3V	Download	Experimental	e7v3v41 e7v3v72 e7v3v74 e7v3v41 e7v3v42 e7v3v64 e7v3vD2 e7v3vG3 e7v3vG5 e7v3vD2 e7v3vD4 e7v3vF1	P-loop domains-like Histone-like P-loop domains-like P-loop domains-like Histone-like P-loop domains-like P-loop domains-like Histone-like P-loop domains-like P-loop domains-like Histone-like P-loop domains-like	LigPlot
7W8G	Download	Experimental	e7w8g44 e7w8g72 e7w8g73 e7w8g42 e7w8g44 e7w8g64 e7w8gD3 e7w8gG1 e7w8gG2 e7w8gD3 e7w8gD5 e7w8gF1	P-loop domains-like Histone-like P-loop domains-like Histone-like P-loop domains-like P-loop domains-like P-loop domains-like Histone-like P-loop domains-like P-loop domains-like Histone-like P-loop domains-like	LigPlot