Ligand name: (2S,3S)-3-methyl-aspartic acid
PDB ligand accession: 2AS
DrugBank: DB04538
PubChem: 440064
ChEMBL: CHEMBL76739
InChI Key: LXRUAYBIUSUULX-HRFVKAFMSA-N
SMILES: CC([C]O)C(C(=O)(=O)O)N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Carboxylic acids and derivatives
      • Subclass: Amino acids, peptides, and analogues

List of PDB structures and/or AlphaFold models with target protein Q76KY2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3WV5	Download	Experimental	e3wv5A2 e3wv5B3	Rossmann-like domain in Acetyl-CoA synthetase-like proteins Rossmann-like domain in Acetyl-CoA synthetase-like proteins	LigPlot