Rational Design of an Artificial Metalloenzyme by Constructing a Metal-Binding Site Close to the Heme Cofactor in Myoglobin

Inorg Chem. 2024 Oct 7;63(40):18531-18535. doi: 10.1021/acs.inorgchem.4c03093. Epub 2024 Sep 23.

Abstract

In this study, we constructed a metal-binding site close to the heme cofactor in myoglobin (Mb) by covalently attaching a nonnative metal-binding ligand of bipyridine to Cys46 through the F46C mutation in the heme distal site. The X-ray structure of the designed enzyme, termed F46C-mBpy Mb, was solved in the Cu(II)-bound form, which revealed the formation of a heterodinuclear center of Cu-His-H2O-heme. Cu(II)-F46C-mBpy Mb exhibits not only nitrite reductase reactivity but also cascade reaction activity involving both hydrolysis and oxidation. Furthermore, F46C-mBpy Mb displays Mn-peroxidase activity by the oxidation of Mn2+ to Mn3+ using H2O2 as an oxidant. This study shows that the construction of a nonnative metal-binding site close to the heme cofactor is a convenient approach to creating an artificial metalloenzyme with a heterodinuclear center that confers multiple functions.

MeSH terms

  • Binding Sites
  • Copper / chemistry
  • Copper / metabolism
  • Crystallography, X-Ray
  • Heme* / chemistry
  • Heme* / metabolism
  • Manganese / chemistry
  • Manganese / metabolism
  • Metalloproteins / chemistry
  • Metalloproteins / metabolism
  • Models, Molecular
  • Myoglobin* / chemistry
  • Myoglobin* / metabolism
  • Oxidation-Reduction

Substances

  • Myoglobin
  • Heme
  • Copper
  • Metalloproteins
  • Manganese