Computational Study of the MutH Enzyme Reactivity

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14310%2F10%3A00049618" target="_blank" >RIV/00216224:14310/10:00049618 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Result language
angličtina
Original language name
Computational Study of the MutH Enzyme Reactivity
Original language description
MutH enzyme is an integral part of the DNA repair mechanism called Methyl-directed Mismatch Repair, which is responsible for removing of mismatches introduced in DNA replication process. The repair mechanism depends on three enzymes MutS, MutL and MutH which cooperate on following way: the mismatch is identified by MutS and the information is transferred through MutL to MutH enzyme, which specifically recognizes GATC sequence on daughter DNA strand. Close to the G base this strand is cleaved by MutH andincorrectly paired base is removed. Missing part of DNA can be renewed. Here we present the elucidation of the MutH enzyme reaction mechanism using computational chemistry approach, namely Quantum Mechanics/Molecular Mechanics (QM/MM) tools. All available structures are considered as the pre-reaction complexes because they contain Ca2+ ions which inhibit the cleavage reaction. To suggest the reaction mechanism of the cleavage, the Mg2+ (known as cofactors) are included to the calculatio
Czech name
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Czech description
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Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>Z - Vyzkumny zamer (s odkazem do CEZ)

Publication year
2010
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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