Analysis of oxidation of p-cresol catalyzed by horseradish peroxidase compound II.

Abstract

Mechanism of catalyzed oxidation reaction of p-cresol by HRP compound II was analyzed using AM 1-d semiempirical molecular orbital calculation method on the basis of X-ray crystallography structure. Arg-38 residue was proved to decrease activation energy of this reaction (9.575kcal/mol).