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  Theoretical Spectroscopy of the NiII Intermediate States in the Catalytic Cycle and the Activation of [NiFe] Hydrogenases

Krämer, T., Kampa, M., Lubitz, W., van Gastel, M., & Neese, F. (2013). Theoretical Spectroscopy of the NiII Intermediate States in the Catalytic Cycle and the Activation of [NiFe] Hydrogenases. ChemBioChem: A European Journal of Chemical Biology, 14(14), 1898-1905. doi:10.1002/cbic.201300104.

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 Creators:
Krämer, Tobias1, Author              
Kampa, Mario1, Author              
Lubitz, Wolfgang2, Author              
van Gastel, Maurice1, Author              
Neese, Frank1, Author              
Affiliations:
1Research Department Neese, Max Planck Institute for Chemical Energy Conversion, Max Planck Society, ou_3023886              
2Research Department Lubitz, Max Planck Institute for Chemical Energy Conversion, Max Planck Society, ou_3023873              

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Free keywords: Computational chemistry; Enzyme models; Metalloenzymes
 Abstract: Building bridges: Candidates for the Ni‐SIr, Ni‐SIa, and Ni‐R states have been identified. The Ni‐SIr and Ni‐SIa states feature a water molecule loosely bound to nickel and a formally vacant bridge. For reduced Ni‐R two models emerged: H2 coordinates side‐on to nickel, or a hydride bridge and a protonated thiolate.

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Language(s): eng - English
 Dates: 2013-02-262013-05-222013-09-23
 Publication Status: Published in print
 Pages: 8
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1002/cbic.201300104
 Degree: -

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Title: ChemBioChem: A European Journal of Chemical Biology
  Abbreviation : ChemBioChem
Source Genre: Journal
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Affiliations:
Publ. Info: Weinheim, Germany : Wiley-VCH
Pages: - Volume / Issue: 14 (14) Sequence Number: - Start / End Page: 1898 - 1905 Identifier: ISSN: 1439-4227
CoNE: https://pure.mpg.de/cone/journals/resource/110978984568897_1