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Conformation dependence of pK(a)'s of the chromophores from the purple asFP595 and yellow zFP538 fluorescent proteinsстатья
Информация о цитировании статьи получена из
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Статья опубликована в журнале из списка Web of Science и/или Scopus
Дата последнего поиска статьи во внешних источниках: 18 июля 2013 г.
- Авторы: Nemukhin A.V., Topol I.A., Grigorenko B.L., Savitsky A.P., Collins J.R.
- Журнал: Journal of Molecular Structure: THEOCHEM
- Том: 863
- Номер: 1-3
- Год издания: 2008
- Издательство: Elsevier BV
- Местоположение издательства: Netherlands
- Первая страница: 39
- Последняя страница: 43
- DOI: 10.1016/j.theochem.2008.05.014
- Аннотация: Two members of the green fluorescent protein family, the purple asFP595 and yellow zFP538 proteins, are perspective fluorescent markers for use in multicolor imaging and resonance energy-transfer applications. We report the results of quantum based Calculations of the Solution pK(a) values for selected protonation sites of the denatured asFP595 and zFP538 chromophores in the trans- and cis-conformations in order to add in the interpretation of photo-physical properties of these proteins. The pK(a) Values Were determined from the theromodynamic cycle based on B3LYP/6-311++G(2df, 2p) calculations of the gas phase free energies of the molecules and the B3LYP/6-311++G(d, p) calculations of solvation energies. The results show that the pK(a)'s of the protonation sites of the chromophore from asFP595 noticeably depend on the isomer conformation (cis- or trans-), while those of zFP538 are Much less sensitive to isomerization. (C) 2008 Elsevier B.V. All rights reserved.
- Добавил в систему: Григоренко Белла Людвиговна