YURENKO, Yevgen, Sophia BAZZI, Radek MAREK and Jiří KOZELKA. Anion-pi interactions in flavoproteins involve a substantial charge-transfer component. Chemistry - A European Journal. Weinheim, Germany: Wiley-VCH, 2017, vol. 23, No 14, p. 3246-3250, 6 pp. ISSN 0947-6539. doi:10.1002/chem.201605307.
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Basic information
Original name Anion-pi interactions in flavoproteins involve a substantial charge-transfer component
Authors YURENKO, Yevgen (804 Ukraine, belonging to the institution), Sophia BAZZI (364 Islamic Republic of Iran), Radek MAREK (203 Czech Republic, belonging to the institution) and Jiří KOZELKA (250 France, belonging to the institution).
Edition Chemistry - A European Journal, Weinheim, Germany, Wiley-VCH, 2017, 0947-6539.
Other information
Original language English
Type of outcome Article in a journal
Field of Study 10403 Physical chemistry
Country of publisher Germany
Confidentiality degree is not subject to a state or trade secret
WWW DOI: 10.1002/chem.201605307
Impact factor Impact factor: 5.160
RIV identification code RIV/00216224:14310/17:00094613
Organization unit Faculty of Science
Doi http://dx.doi.org/10.1002/chem.201605307
UT WoS 000395775700002
Keywords in English covalence; charge-transfer component; energy decomposition
Tags NZ, rivok
Tags International impact, Reviewed
Changed by Changed by: prof. RNDr. Radek Marek, Ph.D., učo 381. Changed: 18. 10. 2020 08:33.
Anion-pi interactions have been shown to stabilize flavoproteins and to regulate the redox potential of the flavin cofactor. They are commonly attributed to electrostatic forces. Here we show that anion-flavin interactions have a substantial charge-transfer component. Our conclusion emanates from a multiapproach theoretical analysis and is backed by previously reported observations of absorption bands, originating from charge transfer between oxidized flavin and proximate cystein thiolate groups. This partial covalency of anion-flavin contacts renders classical simulations of flavoproteins questionable.
GA14-14654S, research and development projectName: Studium fyzikální podstaty interakcí lone-pair-pi v biomolekulárních systémech. Role interakcí lone-pair-pi při stabilizaci proteinu Engrailed (Acronym: Lone-pair-pi interactions)
Investor: Czech Science Foundation
LQ1601, research and development projectName: CEITEC 2020 (Acronym: CEITEC2020)
Investor: Ministry of Education, Youth and Sports of the CR
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