Linked Life Data

15038754

Source:http://linkedlifedata.com/resource/pubmed/id/15038754

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
12
pubmed:dateCreated
2004-3-24
pubmed:abstractText
In the present quantum chemical study, the biogenesis of the cofactor topaquinone (TPQ) has been studied using hybrid density functional theory (B3LYP). The suggested mechanism is divided into six steps and incorporates the observation of four crystallized intermediates. The experimental suggestion that the formation of the Cu(II)-peroxy species is the rate-limiting step is consistent with the results of the present study. Before the formation of the Cu(II)-peroxy species, dioxygen is suggested to first bind at the equatorial position on the copper metal center. A mechanism for the critical O-O bond cleavage is suggested, and this step is found to be driven by an unusually large exothermicity. A complex, spin-forbidden formation of H(2)O(2) with and without the involvement of the copper metal center is discussed. The results are discussed in detail, and comparisons are made to experimental findings and suggestions.
pubmed:language
eng
pubmed:journal
pubmed:citationSubset
IM
pubmed:chemical
pubmed:status
MEDLINE
pubmed:month
Mar
pubmed:issn
0002-7863
pubmed:author
pubmed:issnType
Print
pubmed:day
31
pubmed:volume
126
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
3996-4006
pubmed:meshHeading
pubmed:year
2004
pubmed:articleTitle
A theoretical study of the mechanism for the biogenesis of cofactor topaquinone in copper amine oxidases.
pubmed:affiliation
Department of Physics, Stockholm Centre for Physics, Astronomy and Biotechnology, Stockholm University, S-106 91 Stockholm, Sweden. raju@physto.se
pubmed:publicationType
Journal Article