Naslov
Computational Investigation of Enzyme Mechanisms: An Application to the B12-Independent Glycerol Dehydratase

Autori
Kovačević, Borislav ; Barić, Danijela ; Sandala, Greg M. ; Radom, Leo ; Smith, David M.

Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni

Izvornik
Trends in Enzymology "Perspectives en Enzymologie" / Miller, Susan ; Badet, Bernard - , 2008

Skup
Trends in Enzymology

Mjesto i datum
Saint-Malo, Francuska, 02.07.2008. - 05.07.2008

Vrsta sudjelovanja
Pozvano predavanje

Vrsta recenzije
Nije recenziran

Ključne riječi
enzyme catalysis; QM/MM; coenzyme B12

Sažetak
The biological dehydration of 1, 2-diols has been traditionally thought to be exclusively dependent on Coenzyme B12, in a non-REDOX process. Recently, however, a B12-independent enzyme system has been discovered in which glycerol is dehydrated with the assistance of an Fe-S cluster that effects the reductive cleavage of S-adenosylmethionine (SAM). In this contribution, results from a computational investigation of the mechanistic aspects of this reaction will be presented. Particular focus will be placed on the substrate transformation and its comparison to the B12-dependent system. The significance of the similarities and differences between the two biological dehydration strategies will be discussed.

Izvorni jezik
Engleski

Znanstvena područja
Kemija, Biologija

POVEZANOST RADA