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Stabilization of Haloalkane Dehalogenase Structure by Interfacial Interaction with Ionic Liquids
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SYSNO ASEP 0547429 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Stabilization of Haloalkane Dehalogenase Structure by Interfacial Interaction with Ionic Liquids Author(s) 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)Article number 1052 Source Title Crystals. - : MDPI - ISSN 2073-4352
Roč. 11, č. 9 (2021)Number of pages 16 s. Language eng - English Country CH - Switzerland Keywords 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]) Subject RIV BO - Biophysics OECD category Biophysics R&D Projects LM2015047 GA MŠMT - Ministry of Education, Youth and Sports (MEYS) Research Infrastructure e-INFRA CZ - 90140 - CESNET, zájmové sdružení právnických osob
RECETOX RI - 90121 - Masarykova univerzitaMethod of publishing Open access Institutional support MBU-M - RVO:61388971 UT WOS 000699458300001 EID SCOPUS 85114460808 DOI 10.3390/cryst11091052 Annotation 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. Workplace Institute of Microbiology Contact Eliška Spurná, eliska.spurna@biomed.cas.cz, Tel.: 241 062 231 Year of Publishing 2022 Electronic address https://www.mdpi.com/2073-4352/11/9/1052
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