Pure Appl. Chem., 2005, Vol. 77, No. 9, pp. 1595-1605
doi:10.1351/pac200577091595
Synthetic and computational modeling of the vanadium-dependent haloperoxidases*
Joslyn Yudenfreund Kravitz and Vincent L. Pecoraro
Department of Chemistry, University of Michigan, Ann Arbor, MI 48109-1055, USA
Abstract:
Vanadium-dependent haloperoxidases that catalyze the halogenation of organic substrates using hydrogen peroxide to oxidize halides are a rare class of enzymes which have an absolute requirement for vanadium. In this article, we describe studies using synthetic, small-molecule analogs of the vanadium(V) active site to functionally mimic the oxidation of bromide and thioethers. In addition, we describe computational studies using density functional theory that help describe the mechanism of catalysis.
Keywords: bromoperoxidase; chloroperoxidase; DFT; haloperoxidase; Vanadium.
*Paper based on a presentation at the 4th International Symposium on Chemistry and Biological Chemistry of Vanadium, 3-5 September 2004, Szeged, Hungary. Other presentations are published in this issue, pp. 1497-1640.