A Theoretical Study of the Benzoylformate Decarboxylase Reaction Mechanism

Density functional theory calculations are used to investigate the detailed reaction mechanism of benzoylformate decarboxylase, a thiamin diphosphate (ThDP)-dependent enzyme that catalyzes the nonoxidative decarboxylation of benzoylformate yielding benzaldehyde and carbon dioxide. A large model of t...

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Detalles Bibliográficos
Autores principales: Planas, Ferran, Sheng, Xiang, McLeish, Michael J., Himo, Fahmi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2018
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6028569/
https://www.ncbi.nlm.nih.gov/pubmed/29998094
http://dx.doi.org/10.3389/fchem.2018.00205

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6028569/
https://www.ncbi.nlm.nih.gov/pubmed/29998094
http://dx.doi.org/10.3389/fchem.2018.00205

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