Ligand name: Tacrolimus
PDB ligand accession: FK5
DrugBank: DB00864
PubChem: 445643
ChEMBL: CHEMBL269732
InChI Key: QJJXYPPXXYFBGM-LFZNUXCKSA-N
SMILES: CO[C@@H]1C[C@@H](CC[C@H]1O)\C=C(/C)[C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H]([C@H](C[C@H]2C)OC)[C@H](C[C@@H](C)C\C(C)=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@H]1C)OC
Drug action: n/a

List of small molecule binding-associated PTMs for P62942

Residue	UniProt number	Type of PTM	AlphaFold3 models	Rosetta models	Chai-1 models
LYS	35	Acetylation		PyMOL_RFAA
LYS	36	Acetylation		PyMOL_RFAA
LYS	48	Acetylation		PyMOL_RFAA
LYS	53	Acetylation		PyMOL_RFAA
CYS	23	Glutathionylation		PyMOL_RFAA
LYS	48	Malonylation		PyMOL_RFAA
LYS	53	Malonylation		PyMOL_RFAA
TYR	81	Phosphorylation			PyMOL_Chai1
MET	30	Sulfoxidation		PyMOL_RFAA
LYS	53	Ubiquitination