Energetics of Hydride Transfer Reactions in Quinone Reductase 2

Abstract

Quinone Reductases belong to the class of flavin-dependent oxidoreductases. With its redox active cofactor flavin adenine dinucleotide (FAD), quinone reductases are known to utilize a ping pong kinetic mechanism during catalysis in which a hydride is swapped back and forth between flavin and its two substrates. The objectives of this study were: to explore the energetics of the ping pong kinetics in NQO2; to examine the conformational changes and free energy change due to substrate shuttling; and to determine the best functional to calculate the electron interaction.