Phenyl Ammonia Lyase (PAL) has garnered significant attention as the active ingredient in Pegvaliase, the only FDA-approved drug for treating classical phenylketonuria (PKU).
Highlights:
Deep Mutational scanning (DMS) to derive functional hotspots
Hybrid QM/MM techniques combined with meta-dynamics on all 4 active sites of the PAL tetramer simultaneously, to enhance the sampling of coordinates relevant to the reaction
Read more: https://doi.org/10.1021/acscatal.1c05508