Conformation dependence of pKa 's of the chromophores from the purple asFP595 and yellow zFP538 fluorescent proteins
Publication type: Journal Article
Publication date: 2008-08-01
SJR: —
CiteScore: —
Impact factor: —
ISSN: 01661280
PubMed ID:
19721695
Biochemistry
Physical and Theoretical Chemistry
Condensed Matter Physics
Abstract
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 pKa 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 photophysical properties of these proteins. The pKa 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 pKa'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.
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Nemukhin A. et al. Conformation dependence of pKa's of the chromophores from the purple asFP595 and yellow zFP538 fluorescent proteins // Journal of Molecular Structure THEOCHEM. 2008. Vol. 863. No. 1-3. pp. 39-43.
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Nemukhin A., TOPOL I., Grigorenko B., Savitsky A., COLLINS J. R. Conformation dependence of pKa's of the chromophores from the purple asFP595 and yellow zFP538 fluorescent proteins // Journal of Molecular Structure THEOCHEM. 2008. Vol. 863. No. 1-3. pp. 39-43.
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RIS
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TY - JOUR
DO - 10.1016/j.theochem.2008.05.014
UR - https://linkinghub.elsevier.com/retrieve/pii/S0166128008003011
TI - Conformation dependence of pKa's of the chromophores from the purple asFP595 and yellow zFP538 fluorescent proteins
T2 - Journal of Molecular Structure THEOCHEM
AU - Nemukhin, Alexander
AU - TOPOL, I.A.
AU - Grigorenko, Bella
AU - Savitsky, Alexander
AU - COLLINS, JACK R.
PY - 2008
DA - 2008/08/01
PB - Elsevier
SP - 39-43
IS - 1-3
VL - 863
PMID - 19721695
SN - 0166-1280
ER -
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BibTex (up to 50 authors)
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@article{2008_Nemukhin,
author = {Alexander Nemukhin and I.A. TOPOL and Bella Grigorenko and Alexander Savitsky and JACK R. COLLINS},
title = {Conformation dependence of pKa's of the chromophores from the purple asFP595 and yellow zFP538 fluorescent proteins},
journal = {Journal of Molecular Structure THEOCHEM},
year = {2008},
volume = {863},
publisher = {Elsevier},
month = {aug},
url = {https://linkinghub.elsevier.com/retrieve/pii/S0166128008003011},
number = {1-3},
pages = {39--43},
doi = {10.1016/j.theochem.2008.05.014}
}
Cite this
MLA
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Nemukhin, Alexander, et al. “Conformation dependence of pKa's of the chromophores from the purple asFP595 and yellow zFP538 fluorescent proteins.” Journal of Molecular Structure THEOCHEM, vol. 863, no. 1-3, Aug. 2008, pp. 39-43. https://linkinghub.elsevier.com/retrieve/pii/S0166128008003011.