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Pregled bibliografske jedinice broj: 772514

Insight of the iron binding and transport in Dke1 - A Molecular Dynamics Study


Brkić, Hrvoje
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)


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



POVEZANOST RADA


Ustanove
Medicinski fakultet, Osijek

Autor s matičnim brojem:
Hrvoje Brkić, (304856)

Časopis indeksira:


  • Current Contents Connect (CCC)
  • Web of Science Core Collection (WoSCC)
    • Science Citation Index Expanded (SCI-EXP)
    • SCI-EXP, SSCI i/ili A&HCI


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