Ligand name: (3R,4R)-3-Hydroxy-4-(hydroxymethyl)-1-[(4-oxo-4,4a,5,7a-tetrahydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]pyrrolidinium
PDB ligand accession: DIH
DrugBank: DB03551
PubChem: 44629480;135927341;
ChEMBL: n/a
InChI Key: WFVGWLHAOKEIOJ-MFQSTILNSA-O
SMILES: [H]N1C=C(C[N+]2([H])C[C@H](O)[C@@H](CO)C2)C2N=CN([H])C(=O)C12
Drug action: n/a

List of small molecule binding-associated PTMs for P00491

Residue	UniProt number	Type of PTM	AlphaFold3 models	Rosetta models	Chai-1 models
LYS	254	Acetylation		PyMOL_RFAA
CYS	206	Glutathionylation		PyMOL_RFAA
SER	33	Phosphorylation		PyMOL_RFAA
THR	242	Phosphorylation		PyMOL_RFAA
SER	220	Phosphorylation		PyMOL_RFAA
SER	239	Phosphorylation		PyMOL_RFAA
MET	219	Sulfoxidation		PyMOL_RFAA
MET	247	Sulfoxidation		PyMOL_RFAA