Ligand name: N,N'-DIMETHYL-N-(ACETYL)-N'-(7-NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)ETHYLENEDIAMINE
PDB ligand accession: XY2
DrugBank: DB08751
PubChem: 6857727
ChEMBL: n/a
InChI Key: YSVJZZZGPPWEIC-UHFFFAOYSA-N
SMILES: CN(CCN(C)C1=CC=C(C2=NON=C12)[N+]([O-])=O)C(C)=O
Drug action: n/a

List of small molecule binding-associated PTMs for P01112

Residue	UniProt number	Type of PTM	AlphaFold3 models	Rosetta models	Chai-1 models
THR	35	O-linked_glycosylation
THR	35	Phosphorylation		PyMOL_RFAA
SER	39	Phosphorylation		PyMOL_RFAA
TYR	40	Phosphorylation			PyMOL_Chai1