LIŠKOVÁ, Veronika, Veronika ŠTĚPÁNKOVÁ, David BEDNÁŘ, Jan BREZOVSKÝ, Zbyněk PROKOP, Radka CHALOUPKOVÁ and Jiří DAMBORSKÝ. Different Structural Origins of the Enantioselectivity of Haloalkane Dehalogenases toward Linear beta-Haloalkanes: Open–Solvated versus Occluded–Desolvated Active Sites. Angewandte Chemie International Edition. WEINHEIM, GERMANY: WILEY-V C H VERLAG, vol. 56, No 17, p. 4719-4723. ISSN 1433-7851. doi:10.1002/anie.201611193. 2017.
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Basic information
Original name Different Structural Origins of the Enantioselectivity of Haloalkane Dehalogenases toward Linear beta-Haloalkanes: Open–Solvated versus Occluded–Desolvated Active Sites
Authors LIŠKOVÁ, Veronika (203 Czech Republic, belonging to the institution), Veronika ŠTĚPÁNKOVÁ (203 Czech Republic, belonging to the institution), David BEDNÁŘ (203 Czech Republic, belonging to the institution), Jan BREZOVSKÝ (203 Czech Republic, belonging to the institution), Zbyněk PROKOP (203 Czech Republic, belonging to the institution), Radka CHALOUPKOVÁ (203 Czech Republic, belonging to the institution) and Jiří DAMBORSKÝ (203 Czech Republic, guarantor, belonging to the institution).
Edition Angewandte Chemie International Edition, WEINHEIM, GERMANY, WILEY-V C H VERLAG, 2017, 1433-7851.
Other information
Original language English
Type of outcome Article in a journal
Field of Study 10608 Biochemistry and molecular biology
Country of publisher Germany
Confidentiality degree is not subject to a state or trade secret
WWW URL
Impact factor Impact factor: 12.102
RIV identification code RIV/00216224:14310/17:00095409
Organization unit Faculty of Science
Doi http://dx.doi.org/10.1002/anie.201611193
UT WoS 000398576000004
Keywords in English enantioselectivity; enzyme catalysis; enzymes; molecular modeling; protein engineering
Tags NZ, rivok
Changed by Changed by: Ing. Nicole Zrilić, učo 240776. Changed: 1/4/2018 09:39.
Abstract
The enzymatic enantiodiscrimination of linear bhaloalkanes is difficult because the simple structures of the substrates prevent directional interactions. Herein we describe two distinct molecular mechanisms for the enantiodiscrimination of the b-haloalkane 2-bromopentane by haloalkane dehalogenases. Highly enantioselective DbjA has an open, solvent-accessible active site, whereas the engineered enzyme DhaA31 has an occluded and less solvated cavity but shows similar enantioselectivity. The enantioselectivity of DhaA31 arises from steric hindrance imposed by two specific substitutions rather than hydration as in DbjA.
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GA16-06096S, research and development projectName: Objasnění významu dynamických tunelů pro enzymatickou katalýzu: simulace a fluorescenční experimenty
Investor: Czech Science Foundation
GA17-24321S, research and development projectName: Studium hydratace a flexibility enzymů pomocí pokročilých strukturních a biofyzikálních metod
Investor: Czech Science Foundation
LH14027, research and development projectName: Nové koncepty a nástroje pro racionální design enzymů
Investor: Ministry of Education, Youth and Sports of the CR
LM2015051, research and development projectName: Centrum pro výzkum toxických látek v prostředí (Acronym: RECETOX RI)
Investor: Ministry of Education, Youth and Sports of the CR
LO1214, research and development projectName: Centrum pro výzkum toxických látek v prostředí (Acronym: RECETOX)
Investor: Ministry of Education, Youth and Sports of the CR
MUNI/M/1888/2014, interní kód MUName: Pokročilé hybridní metody studia transportních procesů v proteinech a jejich využití v designu biokatalyzátorů
Investor: Masaryk University, INTERDISCIPLINARY - Interdisciplinary research projects
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