Ligand name: Methotrexate
PDB ligand accession: MTX
DrugBank: DB00563
PubChem: 126941
ChEMBL: CHEMBL34259
InChI Key: FBOZXECLQNJBKD-ZDUSSCGKSA-N
SMILES: CN(CC1=CN=C2N=C(N)N=C(N)C2=N1)C1=CC=C(C=C1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Drug action: n/a

List of small molecule binding-associated PTMs for P00374

Residue	UniProt number	Type of PTM	AlphaFold3 models	Rosetta models	Chai-1 models
LYS	55	Acetylation		PyMOL_RFAA
LYS	64	Acetylation		PyMOL_RFAA
THR	39	Phosphorylation		PyMOL_RFAA
SER	12	Phosphorylation		PyMOL_RFAA
TYR	178	Phosphorylation			PyMOL_Chai1
LYS	179	Ubiquitination