Ligand name: 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE
PDB ligand accession: 3AT
DrugBank: DB01860
PubChem: 65562
ChEMBL: CHEMBL480329
InChI Key: NLIHPCYXRYQPSD-BAJZRUMYSA-N
SMILES: c1nc(c2c(n1)n(cn2)C3C(CC(O3)COP(=O)(O)OP(=O)(O)OP(=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 deoxyribonucleotides

List of PDB structures and/or AlphaFold models with target protein P40136

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1K90	Download	Experimental	e1k90A7 e1k90A8 e1k90B4 e1k90B6 e1k90C4 e1k90C5	N-terminal a+b domain in adenylylcyclase toxin Insertion domain in adenylylcyclase toxin (the edema factor) Insertion domain in adenylylcyclase toxin (the edema factor) N-terminal a+b domain in adenylylcyclase toxin N-terminal a+b domain in adenylylcyclase toxin Insertion domain in adenylylcyclase toxin (the edema factor)	LigPlot
1XFV	Download	Experimental	e1xfvA2 e1xfvA4 e1xfvB2 e1xfvB3 e1xfvC2 e1xfvC3 e1xfvD2 e1xfvD3 e1xfvE2 e1xfvE3 e1xfvF2 e1xfvF3	Insertion domain in adenylylcyclase toxin (the edema factor) N-terminal a+b domain in adenylylcyclase toxin Insertion domain in adenylylcyclase toxin (the edema factor) N-terminal a+b domain in adenylylcyclase toxin Insertion domain in adenylylcyclase toxin (the edema factor) N-terminal a+b domain in adenylylcyclase toxin Insertion domain in adenylylcyclase toxin (the edema factor) N-terminal a+b domain in adenylylcyclase toxin Insertion domain in adenylylcyclase toxin (the edema factor) N-terminal a+b domain in adenylylcyclase toxin Insertion domain in adenylylcyclase toxin (the edema factor) N-terminal a+b domain in adenylylcyclase toxin	LigPlot