Ligand name: AC-(D)Phe-pro-borolys-OH
PDB ligand accession: DI2
DrugBank: DB07658
PubChem: 5288064
ChEMBL: CHEMBL100109
InChI Key: UCQIHCRMWNRFNP-QYZOEREBSA-N
SMILES: CC(=O)N[C@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)B(O)O
Drug action: n/a

List of small molecule binding-associated PTMs for P00734

Residue UniProt number Type of PTM AlphaFold3 models Rosetta models Chai-1 models
LYS 599 Acetylation PyMOL_Chai1
THR 540 Phosphorylation PyMOL_Chai1