Ligand name: ATP
PDB ligand accession: ATP
DrugBank: DB00171
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 drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein Q9NUB1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name
Q9NUB1	Download	Predicted	Q9NUB1_F1_nD2 Q9NUB1_F1_nD3	Rossmann-like domain in Acetyl-CoA synthetase-like proteins Alpha-lytic protease prodomain-like
3GLR		Predicted
3GLT		Predicted
3GLU		Predicted
4BVE		Predicted
4BVF		Predicted
4BVG		Predicted
4C78		Predicted
5Y4H		Predicted
5YTK		Predicted