Ligand name: (2R,3R,4S,5R,6E)-3,4,5-Trihydroxy-N-[(3S,6R)-6-hydroxy-2-oxo-3-azepanyl]-2-methoxy-8,8-dimethyl-6-nonenamide
PDB ligand accession: TDE
DrugBank: DB03396
PubChem: 448235
ChEMBL: CHEMBL1236230
InChI Key: FVBBTOIQETYGOA-SDNORSGYSA-N
SMILES: [H]N([C@H]1CC[C@@H](O)CN([H])C1=O)C(=O)[C@H](OC)[C@H](O)[C@@H](O)[C@H](O)\C=C\C(C)(C)C
Drug action: n/a

List of small molecule binding-associated PTMs for P50579

Residue	UniProt number	Type of PTM	AlphaFold3 models	Rosetta models	Chai-1 models
LYS	385	Acetylation		PyMOL_RFAA
CYS	263	Glutathionylation		PyMOL_RFAA
THR	461	Phosphorylation		PyMOL_RFAA
CYS	448	S-nitrosylation		PyMOL_RFAA
MET	384	Sulfoxidation		PyMOL_RFAA