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Published in 2021 at "Journal of Molecular Modeling"
DOI: 10.1007/s00894-020-04639-3
Abstract: In the current study, we deal with the crucial role of 5′-deoxyadenosyl radical and water in the mechanism of the conversion of l -lysine into l -β-lysine. The DFT (density functional theory)–B3LYP method coupled with…
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Keywords:
water;
lysine;
radical water;
deoxyadenosyl radical ... See more keywords
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Published in 2019 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.9b05926
Abstract: The 5′-deoxyadenosyl radical (5′-dAdo·) abstracts a substrate H atom as the first step in radical-based transformations catalyzed by adenosylcobalamin-dependent and radical S-adenosyl-l-methionine (RS) enzymes. Notwithstanding its central biological role, 5′-dAdo· has eluded characterization despite efforts…
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Keywords:
electron;
electron nuclear;
deoxyadenosyl radical;
paramagnetic resonance ... See more keywords