Influence of the [2Fe]H subcluster environment on the properties of key intermediates in the catalytic cycle of [FeFe] hydrogenases: hints for the rational design of synthetic catalysts

Angew Chem Int Ed Engl. 2009;48(19):3503-6. doi: 10.1002/anie.200900494.

Abstract

Nature's recipe: A theoretical study analyzes how the environment of the [FeFe] hydrogenase's catalytic cofactor affects its chemical properties, particularly the relative stability of complexes with bridging and terminal hydride ligands (see picture; Fe teal, S yellow, C green, N blue, O red, H gray). The results help to elucidate key rules for the design of bioinspired synthetic catalysts for H(2) production.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Catalysis
  • Enzyme Stability
  • Hydrogen / chemistry*
  • Hydrogenase / chemistry*
  • Iron / chemistry*
  • Models, Chemical*
  • Protein Conformation

Substances

  • Hydrogen
  • Iron
  • Hydrogenase