Ligand name: Raltitrexed
PDB ligand accession: D16
DrugBank: DB00293
PubChem: 104758;5281913;135400182;
ChEMBL: CHEMBL225071
InChI Key: IVTVGDXNLFLDRM-HNNXBMFYSA-N
SMILES: CN(CC1=CC2=C(NC(C)=NC2=O)C=C1)C1=CC=C(S1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
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
SER	124	Phosphorylation		PyMOL_RFAA
LYS	169	Ubiquitination