Free Energy Relationship Analysis for Temperature Dependence of Hydride Kinetic Isotope Effects of NADH/NAD+ Model Reactions: Implication for Barrier Compression by Enzyme Dynamics

Key Points

• This research aims to examine how temperature affects kinetic isotope effects in NADH/NAD+ model reactions and the role of enzyme dynamics.
• Analyzed hydride kinetic isotope effects in wild-type and mutant enzymes.
• Employed temperature variation to assess differences in KIEs.
• Utilized free energy relationship analysis to link enzyme dynamics with barrier compression.
• Enzyme mutants exhibited temperature-dependent KIEs, unlike wild-type enzymes.
• Demonstrated a significant correlation between temperature and barrier compression through enzyme dynamics.