Ligand name: 2,4-Diamino-5-(3,4,5-Trimethoxy-Benzyl)-Pyrimidin-1-Ium
PDB ligand accession: TRR
DrugBank: DB03125
PubChem: 446998;3382784;
ChEMBL: n/a
InChI Key: IEDVJHCEMCRBQM-UHFFFAOYSA-O
SMILES: COC1=CC(CC2=C[NH+]=C(N)N=C2N)=CC(OC)=C1OC
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
TYR	183	Phosphorylation			PyMOL_Chai1
THR	39	Phosphorylation		PyMOL_RFAA
SER	12	Phosphorylation		PyMOL_RFAA
TYR	178	Phosphorylation			PyMOL_Chai1
LYS	133	Ubiquitination
LYS	179	Ubiquitination