Ligand name: PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
PDB ligand accession: ACP
DrugBank: DB03909
PubChem: 91532
ChEMBL: CHEMBL133463
InChI Key: UFZTZBNSLXELAL-IOSLPCCCSA-N
SMILES: c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(CP(=O)(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 P00558

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2X14	Download	Experimental	e2x14A1 e2x14A2	Phosphoglycerate kinase domain 1 Phosphoglycerate kinase domain 2	LigPlot
2XE8	Download	Experimental	e2xe8A2	Phosphoglycerate kinase domain 2	LigPlot