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 P53091

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7PT6	Download	Experimental	e7pt624 e7pt664 e7pt665 e7pt642 e7pt645 e7pt664 e7pt6B3 e7pt6F1 e7pt6F3 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
7V3U	Download	Experimental	e7v3u22 e7v3u61 e7v3u62 e7v3u43 e7v3u45 e7v3u62 e7v3uB5 e7v3uF3 e7v3uF5 e7v3uD1 e7v3uD4 e7v3uF5	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 P-loop domains-like	LigPlot
7V3V	Download	Experimental	e7v3v22 e7v3v61 e7v3v64 e7v3v41 e7v3v42 e7v3v64 e7v3vB5 e7v3vF1 e7v3vF2 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 P-loop domains-like Histone-like P-loop domains-like Histone-like P-loop domains-like	LigPlot
7W8G	Download	Experimental	e7w8g21 e7w8g62 e7w8g64 e7w8g42 e7w8g44 e7w8g64 e7w8gB5 e7w8gF1 e7w8gF2 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 P-loop domains-like Histone-like P-loop domains-like Histone-like P-loop domains-like	LigPlot