C-C bond formation and cleavage in radical enzymes, a theoretical perspective |
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Authors: | Fahmi Himo |
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Institution: | Theoretical Chemistry, Department of Biotechnology, Royal Institute of Technology, ALBANOVA, SE-106 91 Stockholm, Sweden |
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Abstract: | Quantum chemical methods are today a viable tool in the study of enzyme catalysis. The development of new density functional techniques and the enormous advancement in computer power have made it possible to accurately describe active sites of enzymes. This review gives a brief account of the methods and models used in this field. Three specific enzymes are discussed: pyruvate-formate lyase (PFL), spore photoproduct lyase (SPL), and benzylsuccinate synthase (BSS). What these enzymes have in common is that they use radical chemistry to catalyze C-C bond formation or cleavage reactions. |
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Keywords: | Density functional theory Pyruvate-formate lyase Spore photoproduct lyase Benzylsuccinate synthase Radical enzyme |
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