Ligand name: ADENOSINE-5'-TRIPHOSPHATE
PDB ligand accession: ATP
DrugBank: DB00171
PubChem: 5957
ChEMBL: CHEMBL14249
InChI Key: ZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES: c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(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 Q27686

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3HQP	Download	Experimental	e3hqpA4 e3hqpA2 e3hqpB4 e3hqpB2 e3hqpC4 e3hqpC2 e3hqpD4 e3hqpD2 e3hqpE4 e3hqpE2 e3hqpF4 e3hqpF2 e3hqpG4 e3hqpG2 e3hqpH4 e3hqpH2 e3hqpI4 e3hqpI2 e3hqpJ4 e3hqpJ2 e3hqpK4 e3hqpK2 e3hqpL4 e3hqpL2 e3hqpM4 e3hqpM2 e3hqpN4 e3hqpN2 e3hqpP4 e3hqpP2	cradle loop barrel TIM beta/alpha-barrel cradle loop barrel TIM beta/alpha-barrel cradle loop barrel TIM beta/alpha-barrel cradle loop barrel TIM beta/alpha-barrel cradle loop barrel TIM beta/alpha-barrel cradle loop barrel TIM beta/alpha-barrel cradle loop barrel TIM beta/alpha-barrel cradle loop barrel TIM beta/alpha-barrel cradle loop barrel TIM beta/alpha-barrel cradle loop barrel TIM beta/alpha-barrel cradle loop barrel TIM beta/alpha-barrel cradle loop barrel TIM beta/alpha-barrel cradle loop barrel TIM beta/alpha-barrel cradle loop barrel TIM beta/alpha-barrel cradle loop barrel TIM beta/alpha-barrel	LigPlot
3HQO	Download	Experimental	e3hqoK4 e3hqoK2 e3hqoA4 e3hqoA2 e3hqoB4 e3hqoB2 e3hqoC4 e3hqoC2	cradle loop barrel TIM beta/alpha-barrel cradle loop barrel TIM beta/alpha-barrel cradle loop barrel TIM beta/alpha-barrel cradle loop barrel TIM beta/alpha-barrel	LigPlot