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  The iron–sulfur core in Rieske proteins is not symmetric

Ali, M. E., Nair, N. N., Retegan, M., Neese, F., Staemmler, V., & Marx, D. (2014). The iron–sulfur core in Rieske proteins is not symmetric. Journal of Biological Inorganic Chemistry, 19(8), 1287-1293. doi:10.1007/s00775-014-1185-7.

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 Creators:
Ali, Md. Ehesan1, Author
Nair, Nisanth N.2, Author
Retegan, Marius3, Author              
Neese, Frank3, Author              
Staemmler, Volker1, Author
Marx, Dominik1, Author
Affiliations:
1Lehrstuhl für Theoretische Chemie, Ruhr-Universität Bochum, 44780, Bochum, Germany, ou_persistent22              
2Department of Chemistry, Indian Institute of Technology Kanpur, Kanpur, 208016, India, ou_persistent22              
3Research Department Neese, Max Planck Institute for Chemical Energy Conversion, Max Planck Society, ou_3023886              

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Free keywords: Iron-sulfur protein; Extended broken-symmetry; Constraint spin-density dynamics
 Abstract: At variance with ferredoxins, Rieske-type proteins contain a chemically asymmetric iron–sulfur cluster. Nevertheless, X-ray crystallography apparently finds their [2Fe–2S] cores to be structurally symmetric or very close to symmetric (i.e. the four iron–sulfur bonds in the [2Fe–2S] core are equidistant). Using a combination of advanced density-based approaches, including finite-temperature molecular dynamics to access thermal fluctuations and free-energy profiles, in conjunction with correlated wavefunction-based methods we clearly predict an asymmetric core structure. This reveals a fundamental and intrinsic difference within the iron–sulfur clusters hosted by Rieske proteins and ferredoxins and thus opens up a new dimension for the ongoing efforts in understanding the role of Rieske-type [2Fe–2S] cluster in electron transfer processes that occur in almost all biological systems.

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Language(s): eng - English
 Dates: 2014-04-112014-08-242014-12-01
 Publication Status: Published in print
 Pages: 7
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1007/s00775-014-1185-7
 Degree: -

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Title: Journal of Biological Inorganic Chemistry
  Abbreviation : J. Biol. Inorg. Chem.
Source Genre: Journal
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Publ. Info: Berlin : Springer
Pages: - Volume / Issue: 19 (8) Sequence Number: - Start / End Page: 1287 - 1293 Identifier: ISSN: 0949-8257
CoNE: https://pure.mpg.de/cone/journals/resource/954925573943