Ligand name: Pemetrexed
PDB ligand accession: LYA
DrugBank: DB00642
PubChem: 446556;5288715;135410875;
ChEMBL: CHEMBL225072
InChI Key: WBXPDJSOTKVWSJ-ZDUSSCGKSA-N
SMILES: NC1=NC(=O)C2=C(NC=C2CCC2=CC=C(C=C2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)N1
Drug action: n/a

List of small molecule binding-associated PTMs for P04818

Residue	UniProt number	Type of PTM	AlphaFold3 models	Rosetta models	Chai-1 models
LYS	77	Acetylation		PyMOL_RFAA
LYS	107	Acetylation		PyMOL_RFAA
TYR	135	Phosphorylation			PyMOL_Chai1
THR	306	Phosphorylation		PyMOL_RFAA
LYS	308	Sumoylation
LYS	77	Ubiquitination
LYS	107	Ubiquitination
LYS	308	Ubiquitination
LYS	104	Ubiquitination