Ligand name: Sitagliptin
PDB ligand accession: 715
DrugBank: DB01261
PubChem: 4369359
ChEMBL: CHEMBL1422
InChI Key: MFFMDFFZMYYVKS-SECBINFHSA-N
SMILES: N[C@@H](CC(=O)N1CCN2C(C1)=NN=C2C(F)(F)F)CC1=CC(F)=C(F)C=C1F
Drug action: n/a

List of small molecule binding-associated PTMs for P27487

Residue UniProt number Type of PTM AlphaFold3 models Rosetta models Chai-1 models
SER 630 Phosphorylation PyMOL_RFAA
TYR 631 Phosphorylation PyMOL_RFAA PyMOL_Chai1