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Angew Chem Int Ed Engl. 2017 Apr 18;56(17):4882-4886. doi: 10.1002/anie.201612621. Epub 2017 Mar 30.

Ligand Rearrangements at Fe/S Cofactors: Slow Isomerization of a Biomimetic [2Fe-2S] Cluster.

Angewandte Chemie (International ed. in English)

Marie Bergner, Lisa Roy, Sebastian Dechert, Frank Neese, Shengfa Ye, Franc Meyer

Affiliations

  1. Universität Göttingen, Institut für Anorganische Chemie, Tammannstrasse 4, 37077, Göttingen, Germany.
  2. Max-Planck-Institut für Chemische Energiekonversion, Stiftstrasse 34-36, 45470, Mülheim an der Ruhr, Germany.

PMID: 28370980 DOI: 10.1002/anie.201612621

Abstract

Ligand exchange plays an important role in the biogenesis of Fe/S clusters, most prominently during cluster transfer from a scaffold protein to its target protein. Although in vivo and in vitro studies have provided some insight into this process, the microscopic details of the ligand exchange steps are mostly unknown. In this work, the kinetics of the ligand rearrangement in a biomimetic [2Fe-2S] cluster with mixed S/N capping ligands have been studied. Two geometrical isomers of the cluster are present in solution, and mechanistic insight into the isomerization process was obtained by variable-temperature

© 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Keywords: bioinorganic chemistry; density functional calculations; iron-sulfur clusters; kinetics; ligand rearrangement

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