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 A0A836NDF2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7UIW	Download	Experimental	e7uiwA3 e7uiwA4 e7uiwB3 e7uiwB2 e7uiwB3 e7uiwC4 e7uiwC3 e7uiwC4 e7uiwD4 e7uiwD1 e7uiwD4 e7uiwE1 e7uiwE3 e7uiwE1 e7uiwE3	P-loop domains-like Histone-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 Histone-like P-loop domains-like Histone-like P-loop domains-like	LigPlot
7UIY	Download	Experimental	e7uiyA2 e7uiyA4 e7uiyB1 e7uiyB1 e7uiyB2 e7uiyC2 e7uiyC2 e7uiyC4 e7uiyD2 e7uiyD3 e7uiyD4 e7uiyE1 e7uiyE3 e7uiyA1 e7uiyF1 e7uiyF3	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 Histone-like P-loop domains-like Histone-like P-loop domains-like P-loop domains-like Histone-like P-loop domains-like	LigPlot
7UIV	Download	Experimental	e7uivA3 e7uivA4 e7uivB1 e7uivB1 e7uivB4 e7uivC2 e7uivC2 e7uivC3 e7uivD4 e7uivD1 e7uivD3 e7uivE1 e7uivE2 e7uivE3 e7uivE4	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 Histone-like P-loop domains-like P-loop domains-like Histone-like P-loop domains-like Histone-like	LigPlot
7UJ0	Download	Experimental	e7uj0A1 e7uj0A2 e7uj0B2 e7uj0B1 e7uj0B3 e7uj0C2 e7uj0C2 e7uj0C3 e7uj0D1 e7uj0D1 e7uj0D3 e7uj0E2 e7uj0E3	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 Histone-like	LigPlot
7UIX	Download	Experimental	e7uixB1 e7uixB4 e7uixC2 e7uixC2 e7uixC4 e7uixD3 e7uixD1 e7uixD3 e7uixE1 e7uixE4 e7uixE1 e7uixE4 e7uixF4 e7uixF1 e7uixF4	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 Histone-like P-loop domains-like Histone-like P-loop domains-like Histone-like P-loop domains-like	LigPlot
7UIZ	Download	Experimental	e7uizA1 e7uizA3 e7uizB1 e7uizB1 e7uizB4 e7uizC3 e7uizC2 e7uizC3 e7uizD1 e7uizD1 e7uizD3 e7uizE3 e7uizE4 e7uizA2 e7uizF1 e7uizF3	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 P-loop domains-like Histone-like Histone-like P-loop domains-like P-loop domains-like Histone-like P-loop domains-like	LigPlot