Počet záznamů: 1
Stabilization of Haloalkane Dehalogenase Structure by Interfacial Interaction with Ionic Liquids
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SYSNO ASEP 0547429 Druh ASEP J - Článek v odborném periodiku Zařazení RIV J - Článek v odborném periodiku Poddruh J Článek ve WOS Název Stabilization of Haloalkane Dehalogenase Structure by Interfacial Interaction with Ionic Liquids Tvůrce(i) Shaposhnikova, Anastasiia (MBU-M)
Kutý, M. (CZ)
Chaloupková, R. (CZ)
Damborský, J. (CZ)
Smatanová, I.K. (CZ)
Minofar, Babak (MBU-M) RID, ORCID
Prudnikova, T. (CZ)Číslo článku 1052 Zdroj.dok. Crystals. - : MDPI - ISSN 2073-4352
Roč. 11, č. 9 (2021)Poč.str. 16 s. Jazyk dok. eng - angličtina Země vyd. CH - Švýcarsko Klíč. slova haloalkane dehalogenase (HLD) ; ionic liquids (ILs) ; molecular dynamics (MD) simulations ; protein stability ; 2-hydroxyethylammonium acetate ([ETA][ACC]) ; 1-butyl-3-methylimidazolium methyl sulfate ([EMIM][CHS]) Vědní obor RIV BO - Biofyzika Obor OECD Biophysics CEP LM2015047 GA MŠMT - Ministerstvo školství, mládeže a tělovýchovy Výzkumná infrastruktura e-INFRA CZ - 90140 - CESNET, zájmové sdružení právnických osob
RECETOX RI - 90121 - Masarykova univerzitaZpůsob publikování Open access Institucionální podpora MBU-M - RVO:61388971 UT WOS 000699458300001 EID SCOPUS 85114460808 DOI https://doi.org/10.3390/cryst11091052 Anotace Ionic liquids attracted interest as green alternatives to replace conventional organic solvents in protein stability studies. They can play an important role in the stabilization of enzymes such as haloalkane dehalogenases that are used for biodegradation of warfare agents and halogenated environmental pollutants. Three-dimensional crystals of haloalkane dehalogenase variant DhaA80 (T148L+G171Q+A172V+C176F) from Rhodococcus rhodochrous NCIMB 13064 were grown and soaked with the solutions of 2-hydroxyethylammonium acetate and 1-butyl-3-methylimidazolium methyl sulfate. The objective was to study the structural basis of the interactions between the ionic liquids and the protein. The diffraction data were collected for the 1.25 angstrom resolution for 2-hydroxyethylammonium acetate and 1.75 angstrom resolution for 1-butyl-3-methylimidazolium methyl sulfate. The structures were used for molecular dynamics simulations to study the interactions of DhaA80 with the ionic liquids. The findings provide coherent evidence that ionic liquids strengthen both the secondary and tertiary protein structure due to extensive hydrogen bond interactions. Pracoviště Mikrobiologický ústav Kontakt Eliška Spurná, eliska.spurna@biomed.cas.cz, Tel.: 241 062 231 Rok sběru 2022 Elektronická adresa https://www.mdpi.com/2073-4352/11/9/1052
Počet záznamů: 1