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 P40339

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
8FS7	Download	Experimental	e8fs7B1 e8fs7B1 e8fs7B3 e8fs7C3	P-loop domains-like P-loop domains-like Histone-like P-loop domains-like	LigPlot
8DR3	Download	Experimental	e8dr3B2 e8dr3B2 e8dr3B3 e8dr3C2	P-loop domains-like P-loop domains-like Histone-like P-loop domains-like	LigPlot
8DR1	Download	Experimental	e8dr1B1 e8dr1B1 e8dr1B3 e8dr1C1	P-loop domains-like P-loop domains-like Histone-like P-loop domains-like	LigPlot
8DR7	Download	Experimental	e8dr7B1 e8dr7B1 e8dr7B2 e8dr7C1	P-loop domains-like P-loop domains-like Histone-like P-loop domains-like	LigPlot
8FS8	Download	Experimental	e8fs8B1 e8fs8B1 e8fs8B3 e8fs8C1	P-loop domains-like P-loop domains-like Histone-like P-loop domains-like	LigPlot
8FS4	Download	Experimental	e8fs4B3 e8fs4B1 e8fs4B3 e8fs4C3	P-loop domains-like Histone-like P-loop domains-like P-loop domains-like	LigPlot
8DQZ	Download	Experimental	e8dqzB3 e8dqzB1 e8dqzB3 e8dqzC3	P-loop domains-like Histone-like P-loop domains-like P-loop domains-like	LigPlot
7TFH	Download	Experimental	e7tfhB1 e7tfhB1 e7tfhB2 e7tfhC1	P-loop domains-like P-loop domains-like Histone-like P-loop domains-like	LigPlot
8DR5	Download	Experimental	e8dr5B3 e8dr5B2 e8dr5B3 e8dr5C2	P-loop domains-like Histone-like P-loop domains-like P-loop domains-like	LigPlot
7TFJ	Download	Experimental	e7tfjA1 e7tfjA3 e7tfjB3 e7tfjB2 e7tfjB3 e7tfjC3	P-loop domains-like Histone-like P-loop domains-like Histone-like P-loop domains-like P-loop domains-like	LigPlot
7U19	Download	Experimental	e7u19B1 e7u19B1 e7u19B3 e7u19C1	P-loop domains-like P-loop domains-like Histone-like P-loop domains-like	LigPlot
7TKU	Download	Experimental	e7tkuB1 e7tkuB1 e7tkuB3 e7tkuC3	P-loop domains-like P-loop domains-like Histone-like P-loop domains-like	LigPlot
7TIB	Download	Experimental	e7tibB1 e7tibB1 e7tibB3 e7tibC2	P-loop domains-like P-loop domains-like Histone-like P-loop domains-like	LigPlot
8DQW	Download	Experimental	e8dqwB1 e8dqwB2 e8dqwC3 e8dqwB1	P-loop domains-like Histone-like P-loop domains-like P-loop domains-like	LigPlot
7SGZ	Download	Experimental	e7sgzB1 e7sgzA2 e7sgzA3 e7sgzB1 e7sgzB3 e7sgzC1	P-loop domains-like P-loop domains-like Histone-like P-loop domains-like Histone-like P-loop domains-like	LigPlot
7SH2	Download	Experimental	e7sh2B3 e7sh2A2 e7sh2A3 e7sh2B1 e7sh2B3 e7sh2C2	P-loop domains-like P-loop domains-like Histone-like Histone-like P-loop domains-like P-loop domains-like	LigPlot
7TFL	Download	Experimental	e7tflB2 e7tflB1 e7tflB2 e7tflC1	P-loop domains-like Histone-like P-loop domains-like P-loop domains-like	LigPlot
7TFK	Download	Experimental	e7tfkB1 e7tfkB1 e7tfkB3 e7tfkC2	P-loop domains-like P-loop domains-like Histone-like P-loop domains-like	LigPlot
8DR6	Download	Experimental	e8dr6B2 e8dr6B1 e8dr6B2 e8dr6C3	P-loop domains-like Histone-like P-loop domains-like P-loop domains-like	LigPlot
7U1A	Download	Experimental	e7u1aB2	P-loop domains-like	LigPlot
8FS5	Download	Experimental	e8fs5B3 e8fs5B1 e8fs5B3 e8fs5C3	P-loop domains-like Histone-like P-loop domains-like P-loop domains-like	LigPlot
7TID	Download	Experimental	e7tidB1 e7tidB1 e7tidB3 e7tidC2	P-loop domains-like P-loop domains-like Histone-like P-loop domains-like	LigPlot
7TI8	Download	Experimental	e7ti8B2 e7ti8C2 e7ti8B1 e7ti8B2	P-loop domains-like P-loop domains-like Histone-like P-loop domains-like	LigPlot
7ST9	Download	Experimental	e7st9B3 e7st9B1 e7st9B3 e7st9C1	P-loop domains-like Histone-like P-loop domains-like P-loop domains-like	LigPlot
8DR4	Download	Experimental	e8dr4B1 e8dr4B1 e8dr4B2 e8dr4C1	P-loop domains-like P-loop domains-like Histone-like P-loop domains-like	LigPlot
7STB	Download	Experimental	e7stbB2 e7stbC2 e7stbB1 e7stbB2	P-loop domains-like P-loop domains-like Histone-like P-loop domains-like	LigPlot
7TFI	Download	Experimental	e7tfiA1 e7tfiA3 e7tfiB2 e7tfiB2 e7tfiB3 e7tfiC3	P-loop domains-like Histone-like P-loop domains-like P-loop domains-like Histone-like P-loop domains-like	LigPlot
8FS3	Download	Experimental	e8fs3B2 e8fs3B2 e8fs3B3 e8fs3C3	P-loop domains-like P-loop domains-like Histone-like P-loop domains-like	LigPlot
7U1P	Download	Experimental	e7u1pB1	P-loop domains-like	LigPlot
7THV	Download	Experimental	e7thvB3 e7thvB2 e7thvB3 e7thvC2	P-loop domains-like Histone-like P-loop domains-like P-loop domains-like	LigPlot
8FS6	Download	Experimental	e8fs6B1 e8fs6B1 e8fs6B2 e8fs6C1	P-loop domains-like P-loop domains-like Histone-like P-loop domains-like	LigPlot
8DR0	Download	Experimental	e8dr0B3 e8dr0B1 e8dr0B3 e8dr0C2	P-loop domains-like Histone-like P-loop domains-like P-loop domains-like	LigPlot
7TIC	Download	Experimental	e7ticB2 e7ticB2 e7ticB3 e7ticC2	P-loop domains-like P-loop domains-like Histone-like P-loop domains-like	LigPlot
8DQX	Download	Experimental	e8dqxB2 e8dqxB2 e8dqxB3 e8dqxC3	P-loop domains-like P-loop domains-like Histone-like P-loop domains-like	LigPlot
1SXJ	Download	Experimental	e1sxjB3 e1sxjA2 e1sxjA3 e1sxjB3 e1sxjC5 e1sxjB2	P-loop domains-like Histone-like P-loop domains-like P-loop domains-like P-loop domains-like Histone-like	LigPlot
7THJ	Download	Experimental	e7thjB3 e7thjB1 e7thjB3 e7thjC3	P-loop domains-like Histone-like P-loop domains-like P-loop domains-like	LigPlot