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Issue 18, 2010
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New insights into the multi-step reaction pathway of the reductive half-reaction catalysed by aromatic amine dehydrogenase: a QM/MM study

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Abstract

Computational insight into the multi-step reaction cycle of aromatic amine dehydrogenase is presented, identifying the energy landscape and pathway for multiple proton transfers. This atomistic picture of the reaction sequence—including short-lived reaction intermediates and a stepwise reaction mechanism—bridges the gap between a small number of crystallographic snapshots.

Graphical abstract: New insights into the multi-step reaction pathway of the reductive half-reaction catalysed by aromatic amine dehydrogenase: a QM/MM study

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Publication details

The article was received on 15 Feb 2010, accepted on 23 Mar 2010 and first published on 07 Apr 2010


Article type: Communication
DOI: 10.1039/C003107K
Citation: Chem. Commun., 2010,46, 3104-3106
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    New insights into the multi-step reaction pathway of the reductive half-reaction catalysed by aromatic amine dehydrogenase: a QM/MM study

    J. Pang, N. S. Scrutton, S. P. de Visser and M. J. Sutcliffe, Chem. Commun., 2010, 46, 3104
    DOI: 10.1039/C003107K

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