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C-C bond formation and cleavage in radical enzymes, a theoretical perspective
KTH, School of Biotechnology (BIO), Theoretical Chemistry.
2005 (English)In: Biochimica et Biophysica Acta - Bioenergetics, ISSN 0005-2728, E-ISSN 1879-2650, Vol. 1707, no 1, 24-33 p.Article, review/survey (Refereed) Published
Abstract [en]

Quantum chemical methods are today a viable tool ill 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.

Place, publisher, year, edition, pages
2005. Vol. 1707, no 1, 24-33 p.
Keyword [en]
density functional theory, pyruvate-formate lyase, spore photoproduct lyase, benzylsuccinate synthase, radical enzyme, density-functional thermochemistry, spore-photoproduct-lyase, benzylsuccinate synthase, catalytic mechanism, dna-repair, pyruvate, exchange
URN: urn:nbn:se:kth:diva-14604DOI: 10.1016/j.bbabio.2004.04.006ISI: 000227631900003ScopusID: 2-s2.0-13844280918OAI: diva2:332645
QC 20100525Available from: 2010-08-05 Created: 2010-08-05Bibliographically approved

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