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Strukturní studie halogenalkandehalogenasy DgaA z \kur{Glaciecola agarilytica} NO2
BERKOVÁ, Ivana
Haloalkane dehalogenases (HLDs) are microbial enzymes that have attracted significant interest because of their ability to catalyze the irreversible hydrolysis of a wide range of halogenated compounds. These enzymes can be used as potential applicants in industrial catalysis, in the bioremediation and the biosensing of environmental pollutants. Novel haloalkane dehalogenase DgaA (EC 3.8.1.5, HLDs) belonging to the superfamily of / hydrolases, was isolated from a psychrophilic and moderately halophilic organism, Glaciecola agarilytica NO2, that was found in marine sediment collected from the East Sea, Korea. Main target of this thesis was the processing of diffraction data from crystals of DgaA proteins and subsequent solving and refinement of structure of studied protein.
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Interactions of Proteins with Nucleic Acids: from Structure to Specificity
Jakubec, Dávid ; Vondrášek, Jiří (advisor) ; Šponer, Jiří (referee) ; Zagrovic, Bojan (referee)
Sequence-specific interactions between proteins and nucleic acids play an essential role in the cell biology. While several molecular mechanisms contributing to the binding speci- ficity have been identified empirically, no general protein-DNA recognition code has been described to date. In this thesis, I explore selected characteristics of protein-DNA inter- actions using computational methods. First, the pairwise interactions between the basic biomolecular building blocks-amino acids and nucleotides-are investigated. It is shown that several statistically enriched, biologically relevant interaction motifs correspond to the most energetically favorable configurations of the respective binding partners. In ad- dition, a relationship between the physico-chemical properties of the amino acid residues found at the protein-DNA interface and the local geometric features of the DNA helix is presented. Next, the applicability of molecular dynamics-based setups to the description of binding equilibria in protein-DNA systems is investigated. Discrepancies are observed between the description offered by the computer simulations and experimental results, as well as between the results obtained using two molecular mechanical force fields. Finally, the more general evolutionary aspects of protein organization...
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