Redox-dependent structural transformations of the [4Fe-3S] proximal cluster in O2-tolerant membrane-bound [NiFe]-hydrogenase: a DFT study.

Abstract

Broken-symmetry density functional theory (BS-DFT) has been used to address the redox-dependent structural changes of the proximal [4Fe-3S] cluster, implicated in the O2-tolerance of membrane-bound [NiFe]-hydrogenase (MBH). The recently determined structures of the [4Fe-3S] cluster together with its protein ligands were studied at the reduced [4Fe-3S](3… (More)
DOI: 10.1021/ja402159u

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@article{Pelmenschikov2013RedoxdependentST, title={Redox-dependent structural transformations of the [4Fe-3S] proximal cluster in O2-tolerant membrane-bound [NiFe]-hydrogenase: a DFT study.}, author={Vladimir Pelmenschikov and Martin Kaupp}, journal={Journal of the American Chemical Society}, year={2013}, volume={135 32}, pages={11809-23} }