Development of a Dehalogenase-Based Protein Fusion Tag Capable of Rapid, Selective and Covalent Attachment to Customizable Ligands

Fig. (4) Structure model of H272F bound covalently to the TMR-ligand. Ligand was manually docked into H272F and bonded to the nucleophile Asp¹⁰⁶. Phe²⁷² lies in proximity to the bond but is unable to act as a general base and catalyze hydrolysis. Other residues of interest in close proximity to ligand include Lys¹⁷⁵, Cys¹⁷⁶, and Tyr²⁷³.