Pregled bibliografske jedinice broj: 772514
Insight of the iron binding and transport in Dke1 - A Molecular Dynamics Study
Insight of the iron binding and transport in Dke1 - A Molecular Dynamics Study // Croatica chemica acta, 88 (2015), 3; 297-306 doi:10.5562/cca2685 (međunarodna recenzija, članak, znanstveni)
CROSBI ID: 772514 Za ispravke kontaktirajte CROSBI podršku putem web obrasca
Naslov
Insight of the iron binding and transport in Dke1 - A Molecular Dynamics Study
Autori
Brkić, Hrvoje
Izvornik
Croatica chemica acta (0011-1643) 88
(2015), 3;
297-306
Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni
Ključne riječi
Metaloenzyme; non-heme; iron; molecular dynamics
Sažetak
Acetylacetone dioxygenase from Acinetobacter johnsonii (Dke1) is a non-heme Fe2+ dependent enzyme which catalyzes the oxidative degradation of β-dicarbonyl compounds. It is a homotetramer with four active sites, each containing single metal ion. Since the active site is buried, knowledge on transport of the metal ion and reactants (products) is essential for understanding the enzyme mechanism. The goal of this study was to assess the influence of several point mutations on the enzyme activity. The point mutations of hydrophilic amino acid residues (Tyr70, Arg80 and Glu98) that were shown to be important for metal binding and reactants stabilization were of the particular interest. Computational study enabled us to determine the preferred metal ion binding sites as well, as the pathways it utilizes to enter the enzyme active site. Besides, influence of the point mutations on the hydrogen bond network within enzyme was determined.
Izvorni jezik
Engleski
Znanstvena područja
Fizika
