Pregled bibliografske jedinice broj: 404480
Computational Investigations of Enzyme Mechanisms: An Application to the Diol Dehydration
Computational Investigations of Enzyme Mechanisms: An Application to the Diol Dehydration // WATOC 2008 Book of Abstracts
Sydney, Australija, 2008. (pozvano predavanje, nije recenziran, sažetak, znanstveni)
CROSBI ID: 404480 Za ispravke kontaktirajte CROSBI podršku putem web obrasca
Naslov
Computational Investigations of Enzyme Mechanisms: An Application to the Diol Dehydration
Autori
Kovačević, Borislav ; Barić, Danijela ; Sandala, Greg M. ; Radom, Leo ; Smith, David M.
Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni
Izvornik
WATOC 2008 Book of Abstracts
/ - , 2008
Skup
WATOC 2008
Mjesto i datum
Sydney, Australija, 14.09.2008. - 19.09.2008
Vrsta sudjelovanja
Pozvano predavanje
Vrsta recenzije
Nije recenziran
Ključne riječi
Enzyme catalysis; QM/MM
(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. 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 QM/MM 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
Fizika, Kemija, Biologija
POVEZANOST RADA
Projekti:
098-0982933-2937 - Računalno proučavanje strukture i funkcije proteina (Smith, David Matthew, MZOS ) ( CroRIS)
Ustanove:
Institut "Ruđer Bošković", Zagreb
