Characterization of the [3Fe–4S]0/1+ cluster from the D14C variant of Pyrococcus furiosus ferredoxin via combined NRVS and DFT analyses. Issue 17 (11th April 2016)

• Record Type: Journal Article
• Authors: Lauterbach, Lars; Gee, Leland B.; Pelmenschikov, Vladimir; Jenney, Francis E.; Kamali, Saeed; Yoda, Yoshitaka; Adams, Michael W. W.; Cramer, Stephen P.
• Is Part Of: Dalton transactions. Volume 45:Issue 17(2016)
• Page Start: 7215
• Page End: 7219
• Publication Date: 2016-04-11
• Subjects: Chemistry, Inorganic -- Periodicals; Chemistry, Physical and theoretical -- Periodicals; Chemistry, Inorganic -- Periodicals; 546.05
• DOI: 10.1039/c5dt04760a
• Languages: English
• ISSNs: 1477-9226

Abstract

Abstract : A combined NRVS and DFT approach to characterize the redox-dependent vibrational properties of a [3Fe–4S] 0/1+ cluster. Abstract : The D14C variant of Pyrococcus furiosus ferredoxin provides an extraordinary framework to investigate a [3Fe–4S] cluster at two oxidation levels and compare the results to its physiologic [4Fe–4S] counterpart in the very same protein. Our spectroscopic and computational study reveals vibrational property changes related to the electronic and structural aspects of both Fe–S clusters.