Iron-sulfur clusters are a common electron-transfer cofactor in many proteins that mediate metabolic processes, including ferredoxin, cytochrome bc1, cytochrome b6f, and (perhaps) mitoNEET. Spectroscopic properties of the clusters are useful for inferring their oxidation states and the protonation state(s) of ligands. This contribution describes density functional calculations to model the spin states and spectroscopic properties of 2Fe-2S Rieske-type clusters and their analogues found in mitoNEET.

Spectroscopic properties of iron-sulfur clusters from electron transfer proteins

248th National Meeting (2014)

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