Ligand name: TRANS-4-(GUANIDINOMETHYL)-CYCLOHEXANE-L-YL-D-3-CYCLOHEXYLALANYL-L-AZETIDINE-2-YL-D-TYROSINYL-L-HOMOARGININAMIDE
PDB ligand accession: GAH
DrugBank: DB04697
PubChem: n/a
ChEMBL: n/a
InChI Key: PCCHJIAHIWBHDQ-CNXMXSPQSA-N
SMILES: NC(N)=NCCCC[C@H](NC(=O)[C@@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H]1CCN1C(=O)[C@@H](CC1CCCCC1)NC(=O)[C@@H]1CC[C@H](CN=C(N)N)CC1)C(N)=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
SER	539	Phosphorylation			PyMOL_Chai1
THR	540	Phosphorylation			PyMOL_Chai1