Reaction-Pathway Selection in the Structural Dynamics of a Heme Protein

Authors

  • Dr. Karin Nienhaus,

    1. Institute of Applied Physics and Center for Functional Nanostructures (CFN), Karlsruhe Institute of Technology (KIT), Wolfgang-Gaede-Strasse 1, 76131 Karlsruhe (Germany)
    Search for more papers by this author
  • Dr. Stephan Lutz,

    1. Department of Chemistry, University of Basel, Klingelbergstrasse 80, 4056 Basel (Switzerland)
    Search for more papers by this author
  • Prof. Dr. Markus Meuwly,

    Corresponding author
    1. Department of Chemistry, University of Basel, Klingelbergstrasse 80, 4056 Basel (Switzerland)
    2. Brown University, Providence, RI 02912 (USA)
    • Department of Chemistry, University of Basel, Klingelbergstrasse 80, 4056 Basel (Switzerland)
    Search for more papers by this author
  • Prof. Dr. G. Ulrich Nienhaus

    Corresponding author
    1. University of Illinois at Urbana-Champaign, 1110 W. Green Street, Urbana, IL 61801 (USA), Fax: (+49) 0721-608-48480
    2. Institute of Applied Physics and Center for Functional Nanostructures (CFN), Karlsruhe Institute of Technology (KIT), Wolfgang-Gaede-Strasse 1, 76131 Karlsruhe (Germany)
    3. Institute of Toxicology and Genetics, Karlsruhe Institute of Technology (KIT), 76344 Eggenstein-Leopoldshafen (Germany), Department of Physics
    • University of Illinois at Urbana-Champaign, 1110 W. Green Street, Urbana, IL 61801 (USA), Fax: (+49) 0721-608-48480
    Search for more papers by this author

Abstract

original image

Choose your way: A reaction-pathway selection mechanism in neuroglobin has been elucidated by studying the wild-type (wt) protein and residue 109 mutants. By combining molecular-dynamics simulations and kinetic experiments, the structural changes accompanying the ligand-binding reaction and their functional implications have been resolved (see scheme).

Ancillary