Calculations of hydrogen tunnelling and enzyme catalysis: A comparison of liver alcohol dehydrogenase, methylamine dehydrogenase and soybean lipoxygenase

Gary Tresadern, Jonathan P. McNamara, Matthias Mohr, Hong Wang, Neil A. Burton, Ian H. Hillier

    Research output: Contribution to journalArticlepeer-review

    Abstract

    Although the potential energy barrier for hydrogen transfer is similar for the enzymes liver alcohol dehydrogenase, methylamine dehydrogenase and soybean lipoxygenase, the degree of tunnelling is predicted to differ greatly, and is reflected by their primary kinetic isotope effects. © 2002 Elsevier Science B.V. All rights reserved.
    Original languageEnglish
    Pages (from-to)489-494
    Number of pages5
    JournalChemical Physics Letters
    Volume358
    Issue number5-6
    DOIs
    Publication statusPublished - 7 Jun 2002

    Keywords

    • Hydride transfer; Hydrogen transfer; Isotope effect; Proton transfer; Simulation and Modeling (a comparison of liver alc. dehydrogenase, methylamine dehydrogenase and soybean lipoxygenase hydrogen tunnelling and enzyme catalysis)

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