Ligand name: N-({4-[(1R)-4-[(2R,4S,5S)-2,4-diamino-6-oxohexahydropyrimidin-5-yl]-1-(2,2,2-trifluoro-1,1-dihydroxyethyl)butyl]phenyl}carbonyl)-L-glutamic acid
PDB ligand accession: KEU
DrugBank: DB03546
PubChem: 131704252
ChEMBL: n/a
InChI Key: KOLDLUFBEMUZIM-YNPGLMGXSA-N
SMILES: [H][C@@](CCC(O)=O)(NC(=O)C1=CC=C(C=C1)[C@@]([H])(CCCC1C(O)=N[C@]([H])(N)N[C@]1([H])N)C(O)(O)C(F)(F)F)C(O)=O
Drug action: n/a

List of small molecule binding-associated PTMs for P22102

Residue	UniProt number	Type of PTM	AlphaFold3 models	Rosetta models	Chai-1 models
LYS	844	Acetylation		PyMOL_RFAA
LYS	866	Acetylation		PyMOL_RFAA
SER	900	Phosphorylation		PyMOL_RFAA
SER	815	Phosphorylation		PyMOL_RFAA
SER	921	Phosphorylation		PyMOL_RFAA
SER	819	Phosphorylation		PyMOL_RFAA
LYS	982	Acetylation		PyMOL_RFAA