N-H⋯S hydrogen bonds in a ferredoxin model

Marc Walters, Cara L. Roche, Arnold L. Rheingold, Scott W. Kassel

Research output: Contribution to journalArticle

Abstract

The Fe 4S 4 complex {(CH 3) 3NCH 2CONH 2} 2[Fe 4S 4(BuS) 4] (1) was synthesized to replicate the ferredoxin active site with a subset of its N-H⋯S hydrogen bonds. The two cationic counterions mimic the polypeptide backbone of ferredoxin (Fd) as amide hydrogen-bond donors to sulfur atoms of the iron-sulfur cluster. X-ray crystallographic data show that the organic sulfur (S y) of one tertbutylthiolate ligand and one inorganic sulfur of the cluster core serve as N-H⋯S hydrogen-bond acceptors. The cluster core of complex 1 is tetragonally elongated in contrast to that of Fd, which is tetragonally compressed. This is the first observation of an elongated [Fe 4S 4] 2+ cluster core. Additionally, this is the first synthetic Fd model in which N-H⋯S hydrogen bonding to a cluster has been achieved.

Original languageEnglish (US)
Pages (from-to)3777-3779
Number of pages3
JournalInorganic Chemistry
Volume44
Issue number11
DOIs
StatePublished - May 30 2005

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Ferredoxins
Sulfur
Hydrogen bonds
hydrogen bonds
sulfur
Amides
polypeptides
Iron
amides
set theory
Ligands
X rays
Atoms
Peptides
methylidyne
iron
ligands
hydrogen
atoms
x rays

ASJC Scopus subject areas

  • Inorganic Chemistry

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Walters, M., Roche, C. L., Rheingold, A. L., & Kassel, S. W. (2005). N-H⋯S hydrogen bonds in a ferredoxin model. Inorganic Chemistry, 44(11), 3777-3779. https://doi.org/10.1021/ic048208z

N-H⋯S hydrogen bonds in a ferredoxin model. / Walters, Marc; Roche, Cara L.; Rheingold, Arnold L.; Kassel, Scott W.

In: Inorganic Chemistry, Vol. 44, No. 11, 30.05.2005, p. 3777-3779.

Research output: Contribution to journalArticle

Walters, M, Roche, CL, Rheingold, AL & Kassel, SW 2005, 'N-H⋯S hydrogen bonds in a ferredoxin model', Inorganic Chemistry, vol. 44, no. 11, pp. 3777-3779. https://doi.org/10.1021/ic048208z
Walters M, Roche CL, Rheingold AL, Kassel SW. N-H⋯S hydrogen bonds in a ferredoxin model. Inorganic Chemistry. 2005 May 30;44(11):3777-3779. https://doi.org/10.1021/ic048208z
Walters, Marc ; Roche, Cara L. ; Rheingold, Arnold L. ; Kassel, Scott W. / N-H⋯S hydrogen bonds in a ferredoxin model. In: Inorganic Chemistry. 2005 ; Vol. 44, No. 11. pp. 3777-3779.
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