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Alternative Pathway for the Reaction Catalyzed by DNA Dealkylase AlkB from Ab Initio QM/MM Calculations
[Image: see text] AlkB is the title enzyme of a family of DNA dealkylases that catalyze the direct oxidative dealkylation of nucleobases. The conventional mechanism for the dealkylation of N(1)-methyl adenine (1-meA) catalyzed by AlkB after the formation of Fe(IV)–oxo is comprised by a reorientation...
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| Publicado no: | J Chem Theory Comput |
|---|---|
| Main Authors: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American
Chemical Society
2014
|
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4230374/ https://ncbi.nlm.nih.gov/pubmed/25400523 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct500572t |
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