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Your search keyword '"Johannissen, Linus O."' showing total 5 results
Start Over Author "Johannissen, Linus O." Journal journal of physical chemistry b
5 results on '"Johannissen, Linus O."'

2. Proton tunneling in aromatic amine dehydrogenase is driven by a short-range sub-picosecond promoting vibration: Consistency of simulation and theory with experiment

Author

Johannissen, Linus O., Hay, Sam, Scrutton, Nigel S., and Sutucliffe, Michael J.

Subjects
Molecular dynamics -- Analysis, Aromatic amines -- Structure, Aromatic amines -- Mechanical properties, Oxidoreductases -- Structure, Oxidoreductases -- Mechanical properties, Chemicals, plastics and rubber industries
Abstract

The molecular dynamics simulations and density functional theory (DFT) calculations are applied to demonstrate that during proton tunneling in the oxidative deamination of tryptamine catalyzed by the enzyme aromatic amine dehydrogenase (AADH), a sub-picosecond promoting vibration is inherent to the iminoquinone intermediate. It is shown by numerical modeling that this short-range vibration is consistent with the gating motion in the hydrogen tunneling model in an enzymatic reaction with an observed protium/deuterium kinetic isotope effect that is not temperature-dependent.

Published
2007

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