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 drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein Q13564

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1R4N	Download	Experimental	e1r4nA1 e1r4nB2 e1r4nB4 e1r4nI1 e1r4nC1 e1r4nD1 e1r4nD2 e1r4nJ1 e1r4nE1 e1r4nF2 e1r4nK1 e1r4nG1 e1r4nH2 e1r4nL1	Rossmann-like Catalytic cysteine domain in ubiquitin-activating enzyme Rossmann-like beta-Grasp Rossmann-like Rossmann-like Catalytic cysteine domain in ubiquitin-activating enzyme beta-Grasp Rossmann-like Rossmann-like beta-Grasp Rossmann-like Rossmann-like beta-Grasp	LigPlot
2NVU	Download	Experimental	e2nvuA1 e2nvuB2 e2nvuI1	Rossmann-like Rossmann-like beta-Grasp	LigPlot