A Computational Investigation Of Glycerol Dehydration: To B12 Or Not To B12 (CROSBI ID 550068)
Prilog sa skupa u zborniku | sažetak izlaganja sa skupa
Podaci o odgovornosti
Kovačević, Borislav ; Barić, Danijela ; Sandala, Gregory M. ; Sandala, Radom, Leo ; Smith, David M.
engleski
A Computational Investigation Of Glycerol Dehydration: To B12 Or Not To B12
Glycerol is known to play a vital role in prokaryotes and eukaryotes alike by way of its action as an energy source, its ability to control osmotic activity, and its cryoprotective properties. A vital step in glycerolipid metabolism, for example, is the dehydration of glycerol to form 3-hydroxypropionaldehyde. This step has been traditionally thought to be exclusively dependent on Coenzyme B12. 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 in the B12-dependent and B12-independent systems. The significance of the similarities and differences between the two biological dehydration strategies will be discussed.
QM/MM; glycerol dehydration
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Podaci o prilogu
47-47.
2009.
objavljeno
Podaci o matičnoj publikaciji
XXI. Hrvatski skup kemičara i kemijskih inženjera Knjiga sažetaka
Novak, Predrag : Pičuljan, Katarina : Smolec, Sonja
Zagreb: Petrokemija Kutina
978-953-6894-38-3
Podaci o skupu
XXI. Hrvatski skup kemičara i kemijskih inženjera
pozvano predavanje
19.07.2009-22.07.2009
Trogir, Hrvatska