Structural Analysis and Mutability Landscape-Guided Engineering of ω-Transaminase for Improved Catalytic Performance

increased by 7.6 °C. MD simulations revealed that the distal mutation induced long-range effects through allostery, resulting in the substrate tunnel being more spacious, reshaping the active pocket, and stabilizing the local conformation. These findings can provide insights into the distal sites and functional relationships of ω-TAs for improving their performance.