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A Computational Investigation Of Glycerol Dehydration: To B12 Or Not To B12 (CROSBI ID 550068)

Prilog sa skupa u zborniku | sažetak izlaganja sa skupa

Kovačević, Borislav ; Barić, Danijela ; Sandala, Gregory M. ; Sandala, Radom, Leo ; Smith, David M. A Computational Investigation Of Glycerol Dehydration: To B12 Or Not To B12 // XXI. Hrvatski skup kemičara i kemijskih inženjera Knjiga sažetaka / Novak, Predrag : Pičuljan, Katarina : Smolec, Sonja (ur.). Zagreb: Petrokemija Kutina, 2009. str. 47-47

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

Povezanost rada

Fizika, Kemija, Biologija