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Synthetic cluster models of protein active sites

Agapie, Theodor (2020) Synthetic cluster models of protein active sites. In: 260th ACS National Meeting & Exposition, 23-27 August 2020, San Francisco, CA.

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Complex inorg. active sites perform challenging catalytic transformations in biol. systems, such as water oxidn. by Photosystem II and nitrogen redn. in Nitrogenase. The effect of cluster structure on the phys. and chem. properties of these active sites is not well understood. We have developed methodologies for the rational synthesis of tetra- and pentanuclear homo- and hetero-metallic cluster models of protein active sites, which allow for systematic structureproperty studies. Clusters displaying the cubane motif found in the Oxygen Evolving Complex (OEC) have been prepd., and the redox inactive metal was found to impact redox chem. Tetranuclear clusters that structurally model the dangler motif of the OEC have also been synthesized, with open coordination sites for water coordination. Distal redox changes have been demonstrated to have a substantial effect on the reactivity and binding of ligands relevant to small mol. conversions. Upon incorporation of second coordination sphere hydrogen bonding interactions, water oxidn. catalysis was obsd. Spectroscopic studies of models with structures or redox states relevant to the protein active site provide benchmarking for the biol. system. Implications for function and spectroscopy will be discussed.

Item Type:Conference or Workshop Item (Paper)
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URLURL TypeDescription Paper
Agapie, Theodor0000-0002-9692-7614
Additional Information:© 2020 American Chemical Society.
Record Number:CaltechAUTHORS:20201221-082520162
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Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:107227
Deposited By: Tony Diaz
Deposited On:21 Dec 2020 19:11
Last Modified:21 Dec 2020 19:11

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