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Issue 24, 2013
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Analysis of differences in oxygen sensitivity of Fe–S clusters

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Abstract

Many but not all iron–sulphur clusters in metalloproteins are known to be sensitive to molecular oxygen with dramatic consequences for their biological function. We performed a systematic quantum chemical investigation that sheds light on the differences in oxygen sensitivity depending on charge and spin states of these clusters as well as on their spatial fixation by the enzyme's scaffold. We find that significant structural distortions are required to bind O2 exothermically to [Fe2S2] and [Fe3S4] clusters, while only small conformational changes allow for the thermodynamically favorable coordination of molecular oxygen to [Fe4S4] cubanes and [Fe4S3] clusters.

Graphical abstract: Analysis of differences in oxygen sensitivity of Fe–S clusters

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Publication details

The article was received on 21 Mar 2013, accepted on 02 Apr 2013 and first published on 03 Apr 2013


Article type: Paper
DOI: 10.1039/C3DT50763G
Citation: Dalton Trans., 2013,42, 8729-8735
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    Analysis of differences in oxygen sensitivity of Fe–S clusters

    M. K. Bruska, M. T. Stiebritz and M. Reiher, Dalton Trans., 2013, 42, 8729
    DOI: 10.1039/C3DT50763G

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