New insights into the multi-step reaction pathway of the reductive half-reaction catalysed by aromatic amine dehydrogenase: a QM/MM study
Pang, Jiayun ORCID: 0000-0003-0689-8440, Scrutton, Nigel S., de Visser, Sam P. and Sutcliffe, Michael J. (2010) New insights into the multi-step reaction pathway of the reductive half-reaction catalysed by aromatic amine dehydrogenase: a QM/MM study. ChemComm, 46 (18). pp. 3104-3106. ISSN 1359-7345 (Print), 1364-548X (Online) (doi:https://doi.org/10.1039/C003107K)
Full text not available from this repository.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.
Item Type: | Article |
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Uncontrolled Keywords: | H transfer, QM/MM, TTQ cofactor |
Subjects: | Q Science > QD Chemistry |
Faculty / School / Research Centre / Research Group: | Faculty of Engineering & Science > School of Science (SCI) |
Related URLs: | |
Last Modified: | 21 Oct 2020 22:09 |
URI: | http://gala.gre.ac.uk/id/eprint/10607 |
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