Theoretical study of the energetics of proton pumping and oxygen reduction in cytochrome oxidase
Article Abstract:
Proton translocation in cytochrome oxidase is studied by using hybrid density functional theory and pK(sub a) values and redox potentials for the active site of cytochrome oxidase is calculated. A proton coming from the inside of the membrane thermodynamically prefer to go to the propionate for further pumping rather than go to the binuclear center for consumption in the oxygen chemistry.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2003
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A theoretical study of the mechanism for the reductive half-reaction of pea seedling amine oxidase (PSAO)
Article Abstract:
The reductive half-reaction of Pear Seedling Amine Oxidase (PSAO) examined quantum mechanically using hybrid density functional theory (B3LYP) on the basis of a large amount of experimental information. The roles of the TPQ cofactor and the critical Asp300 are discussed and compared to experimental observations and suggestions.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2001
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Theoretical study of the mechanism for the oxidative half-reaction of copper amine oxidase (CAO)
Article Abstract:
A review is made on the mechanism of copper-dependent amine oxidases. The roles of the copper metal center and in the active site base in the mechanism is explained.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2003
User Contributions:
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- Abstracts: A theoretical study on the interactions of hydrogen species with various carbon and boron nitride phases. Very low-field emission from aligned and opened carbon nanotube arrays
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