Convergence of theory and experiment on the role of preorganization, quantum tunneling and enzyme motions into flavoenzyme-catalyzed hydride transfer.

Delgado, Manuel; Görlich, Stefan; Longbotham, James E; Scrutton, Nigel S; Hay, Sam; Moliner, Vicent; Tuñón, Iñaki

Delgado, Manuel; Görlich, Stefan; Longbotham, James E; Scrutton, Nigel S; Hay, Sam; Moliner, Vicent; Tuñón, Iñaki.

Afiliación

Delgado M; Department of Physical and Analytical Chemistry, University Jaume I, 12071, Castelló de la Plana, Spain.
Görlich S; Manchester Institute of Biotechnology and School of Chemistry, The University of Manchester, 131 Princess Street, Manchester, M1 7DN, United Kingdom.
Longbotham JE; Manchester Institute of Biotechnology and School of Chemistry, The University of Manchester, 131 Princess Street, Manchester, M1 7DN, United Kingdom.
Scrutton NS; Manchester Institute of Biotechnology and School of Chemistry, The University of Manchester, 131 Princess Street, Manchester, M1 7DN, United Kingdom.
Hay S; Manchester Institute of Biotechnology and School of Chemistry, The University of Manchester, 131 Princess Street, Manchester, M1 7DN, United Kingdom.
Moliner V; Department of Physical and Analytical Chemistry, University Jaume I, 12071, Castelló de la Plana, Spain.
Tuñón I; Department of Chemistry, University of Bath, Bath BA2 7AY, United Kingdom.

ACS Catal ; 7(5): 3190-3198, 2019 May 15.

Article en En | MEDLINE | ID: mdl-31157122

Palabras clave

Hydride transfer; Kinetic Isotope Effects; Morphinone Reductase; QM/MM; molecular dynamics

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Texto completo: 1 Bases de datos: MEDLINE Idioma: En Revista: ACS Catal Año: 2019 Tipo del documento: Article País de afiliación: España