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The hydrogen transfer reaction catalysed by soybean lipoxygenase (SLO) hasbeen the focus of intense study following observations of a high kineticisotope effect (KIE). Today high KIEs are generally thought to indicatedeparture from classical rate theory and are seen as a strong signature oftunnelling of the transferring particle, hydrogen or one of its isotopes,through the reaction energy barrier. In this paper we build a qualitativequantum rate model with few free parameters that describes the dynamics of thetransferring particle when it is exposed to energetic potentials exerted by thedonor and the acceptor. The enzyme's impact on the dynamics is modelled by anadditional energetic term, an oscillatory contribution known as "gating". Byvarying two key parameters, the gating frequency and the mean donor-acceptorseparation, the model is able to reproduce well the KIE data for SLO wild-typeand a variety of SLO mutants over the experimentally accessible temperaturerange. While SLO-specific constants have been considered here, it is possibleto adapt these for other enzymes.

A qualitative quantum rate model for hydrogen transfer in soybean lipoxygenase