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Catalytic mechanism of galactose oxidase: A theoretical study
Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Physics.
Department of Quantum Chemistry.
2000 (English)In: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, ISSN 0002-7863, Vol. 122, no 33, 8031-8036 p.Article in journal (Refereed) Published
Abstract [en]

Density functional methods, alone and together with molecular mechanics, are used to study the catalytic mechanism of galactose oxidase. This enzyme catalyzes the conversion of primary alcohols to the corresponding aldehydes, coupled with reduction of dio

Place, publisher, year, edition, pages
AMER CHEMICAL SOC , 2000. Vol. 122, no 33, 8031-8036 p.
Keyword [en]
DENSITY-FUNCTIONAL THEORY; ACTIVE-SITE; COPPER(II) COMPLEXES; CRYSTAL-STRUCTURE; MODEL-COMPOUND; RADICAL SITE; COFACTOR; FORM; RESONANCE; CHEMISTRY
Identifiers
URN: urn:nbn:se:uu:diva-36854OAI: oai:DiVA.org:uu-36854DiVA: diva2:64753
Note
Addresses: Himo F, Univ Stockholm, Dept Phys, Box 6730, S-11385 Stockholm, Sweden. Univ Stockholm, Dept Phys, S-11385 Stockholm, Sweden. Univ Uppsala, Dept Quantum Chem, S-75120 Uppsala, Sweden. Univ Autonoma Barcelona, Unitat Quim Fis, E-08193 Barcelona,Available from: 2008-10-17 Created: 2008-10-17 Last updated: 2011-01-14

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