Pregled bibliografske jedinice broj: 381061
Computational Investigations of Enzyme Mechanisms: An Application to the Dehydration of 1, 2-Diols
Computational Investigations of Enzyme Mechanisms: An Application to the Dehydration of 1, 2-Diols // International Conference including Biophysics Summer School From Solid State to BioPhysics IV
Cavtat, Hrvatska, 2008. (pozvano predavanje, nije recenziran, sažetak, znanstveni)
CROSBI ID: 381061 Za ispravke kontaktirajte CROSBI podršku putem web obrasca
Naslov
Computational Investigations of Enzyme Mechanisms: An Application to the Dehydration of 1, 2-Diols
Autori
Kovačević, Borislav ; Barić, Danijela ; Sandala, Greg M. ; Radom, Leo ; Smith, David M.
Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni
Izvornik
International Conference including Biophysics Summer School From Solid State to BioPhysics IV
/ - , 2008
Skup
From Solid State to BioPhysics (4 ; 2008)
Mjesto i datum
Cavtat, Hrvatska, 06.06.2008. - 13.06.2008
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. 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
Kemija, Biologija
Napomena
Rad je kao pozvano predavanje prezentiran i na skupovima: a) 18th Triennial Congress of the World Association of Theoretical and Computational Chemists, održanom od 14.-19. 09. 2008., Sydney, Australija, objavljen u knjizi sažetaka "The Eighth Triennial Congress of the World Association of Theoretical and Computational Chemists : WATOC 08 : Book of Abstracts", b) "The International Conference on the Theory and Applications of Computational Chemistry in 2008", održanom od 23.-27.09.2008., Shanghai, Kina i objavljen u knjizi sažetaka "The International Conference on the Theory and Applications of Computational Chemistry in 2008 : TACC2008 : Book of Abstracts".
POVEZANOST RADA
Projekti:
098-0982933-2937 - Računalno proučavanje strukture i funkcije proteina (Smith, David Matthew, MZOS ) ( CroRIS)
Ustanove:
Institut "Ruđer Bošković", Zagreb
