Open Access

Scientific Reports, volume 6, issue 1, publication number 22669

Evidence for Tautomerisation of Glutamine in BLUF Blue Light Receptors by Vibrational Spectroscopy and Computational Chemistry

Domratcheva Tatiana ¹

Hartmann Elisabeth ¹

Schlichting Ilme ¹

Kottke Tilman ²

Hide authors affiliations Show authors affiliations: 2 affiliations

Department of Biomolecular Mechanisms, Max Planck Institute for Medical Research, Heidelberg, Germany |

Department of Chemistry, Physical and Biophysical Chemistry, Bielefeld University, Bielefeld, Germany |

Publication type: Journal Article

Publication date: 2016-03-07

Springer Nature

Journal: Scientific Reports

Quartile SCImago

Quartile WOS

Impact factor: 4.6

ISSN: 20452322

DOI: 10.1038/srep22669

Copy DOI

PubMed ID: 26947391

Multidisciplinary

Abstract

BLUF (blue light sensor using flavin) domains regulate the activity of various enzymatic effector domains in bacteria and euglenids. BLUF features a unique photoactivation through restructuring of the hydrogen-bonding network as opposed to a redox reaction or an isomerization of the chromophore. A conserved glutamine residue close to the flavin chromophore plays a central role in the light response, but the underlying modification is still unclear. We labelled this glutamine with 15N in two representative BLUF domains and performed time-resolved infrared double difference spectroscopy. The assignment of the signals was conducted by extensive quantum chemical calculations on large models with 187 atoms reproducing the UV-vis and infrared signatures of BLUF photoactivation. In the dark state, the comparatively low frequency of 1,667 cm−1 is assigned to the glutamine C=O accepting a hydrogen bond from tyrosine. In the light state, the signature of a tautomerised glutamine was extracted with the C=N stretch at ~1,691 cm−1 exhibiting the characteristic strong downshift by 15N labelling. Moreover, an indirect isotope effect on the flavin C4=O stretch was found. We conclude that photoactivation of the BLUF receptor does not only involve a rearrangement of hydrogen bonds but includes a change in covalent bonds of the protein.

By date By citations

Citations by journals

	2 4 6 8 10
Journal of Physical Chemistry B	Journal of Physical Chemistry B, 10, 16.39% Journal of Physical Chemistry B 10 publications, 16.39%
Journal of the American Chemical Society	Journal of the American Chemical Society, 6, 9.84% Journal of the American Chemical Society 6 publications, 9.84%
Physical Chemistry Chemical Physics	Physical Chemistry Chemical Physics, 4, 6.56% Physical Chemistry Chemical Physics 4 publications, 6.56%
Proceedings of the National Academy of Sciences of the United States of America	Proceedings of the National Academy of Sciences of the United States of America, 4, 6.56% Proceedings of the National Academy of Sciences of the United States of America 4 publications, 6.56%
Journal of Chemical Physics	Journal of Chemical Physics, 2, 3.28% Journal of Chemical Physics 2 publications, 3.28%
Biophysical Reviews	Biophysical Reviews, 2, 3.28% Biophysical Reviews 2 publications, 3.28%
Journal of Biological Chemistry	Journal of Biological Chemistry, 2, 3.28% Journal of Biological Chemistry 2 publications, 3.28%
Photochemistry and Photobiology	Photochemistry and Photobiology, 2, 3.28% Photochemistry and Photobiology 2 publications, 3.28%
Journal of Physical Chemistry A	Journal of Physical Chemistry A, 2, 3.28% Journal of Physical Chemistry A 2 publications, 3.28%
Chemical Reviews	Chemical Reviews, 2, 3.28% Chemical Reviews 2 publications, 3.28%
Russian Journal of Physical Chemistry A	Russian Journal of Physical Chemistry A, 1, 1.64% Russian Journal of Physical Chemistry A 1 publication, 1.64%
Chemical Physics Letters	Chemical Physics Letters, 1, 1.64% Chemical Physics Letters 1 publication, 1.64%
Journal of Chemical Information and Modeling	Journal of Chemical Information and Modeling, 1, 1.64% Journal of Chemical Information and Modeling 1 publication, 1.64%
Faraday Discussions	Faraday Discussions, 1, 1.64% Faraday Discussions 1 publication, 1.64%
Bulletin of the Chemical Society of Japan	Bulletin of the Chemical Society of Japan, 1, 1.64% Bulletin of the Chemical Society of Japan 1 publication, 1.64%
Frontiers in Molecular Biosciences	Frontiers in Molecular Biosciences, 1, 1.64% Frontiers in Molecular Biosciences 1 publication, 1.64%
Photochemical and Photobiological Sciences	Photochemical and Photobiological Sciences, 1, 1.64% Photochemical and Photobiological Sciences 1 publication, 1.64%
Scientific Reports	Scientific Reports, 1, 1.64% Scientific Reports 1 publication, 1.64%
Nature Computational Science	Nature Computational Science, 1, 1.64% Nature Computational Science 1 publication, 1.64%
Journal of Computational Chemistry	Journal of Computational Chemistry, 1, 1.64% Journal of Computational Chemistry 1 publication, 1.64%
Angewandte Chemie - International Edition	Angewandte Chemie - International Edition, 1, 1.64% Angewandte Chemie - International Edition 1 publication, 1.64%
Angewandte Chemie	Angewandte Chemie, 1, 1.64% Angewandte Chemie 1 publication, 1.64%
ACS Infectious Diseases	ACS Infectious Diseases, 1, 1.64% ACS Infectious Diseases 1 publication, 1.64%
Accounts of Chemical Research	Accounts of Chemical Research, 1, 1.64% Accounts of Chemical Research 1 publication, 1.64%
Chemical Science	Chemical Science, 1, 1.64% Chemical Science 1 publication, 1.64%
Molecular Physics	Molecular Physics, 1, 1.64% Molecular Physics 1 publication, 1.64%
Wiley Interdisciplinary Reviews: Computational Molecular Science	Wiley Interdisciplinary Reviews: Computational Molecular Science, 1, 1.64% Wiley Interdisciplinary Reviews: Computational Molecular Science 1 publication, 1.64%
Advances in Experimental Medicine and Biology	Advances in Experimental Medicine and Biology, 1, 1.64% Advances in Experimental Medicine and Biology 1 publication, 1.64%
Methods in Enzymology	Methods in Enzymology, 1, 1.64% Methods in Enzymology 1 publication, 1.64%
	2 4 6 8 10

Citations by publishers

	5 10 15 20 25
American Chemical Society (ACS)	American Chemical Society (ACS), 23, 37.7% American Chemical Society (ACS) 23 publications, 37.7%
Royal Society of Chemistry (RSC)	Royal Society of Chemistry (RSC), 6, 9.84% Royal Society of Chemistry (RSC) 6 publications, 9.84%
Springer Nature	Springer Nature, 6, 9.84% Springer Nature 6 publications, 9.84%
Wiley	Wiley, 6, 9.84% Wiley 6 publications, 9.84%
Proceedings of the National Academy of Sciences (PNAS)	Proceedings of the National Academy of Sciences (PNAS), 4, 6.56% Proceedings of the National Academy of Sciences (PNAS) 4 publications, 6.56%
Elsevier	Elsevier, 3, 4.92% Elsevier 3 publications, 4.92%
American Institute of Physics (AIP)	American Institute of Physics (AIP), 2, 3.28% American Institute of Physics (AIP) 2 publications, 3.28%
American Society for Biochemistry and Molecular Biology	American Society for Biochemistry and Molecular Biology, 2, 3.28% American Society for Biochemistry and Molecular Biology 2 publications, 3.28%
Pleiades Publishing	Pleiades Publishing, 1, 1.64% Pleiades Publishing 1 publication, 1.64%
The Chemical Society of Japan	The Chemical Society of Japan, 1, 1.64% The Chemical Society of Japan 1 publication, 1.64%
Frontiers Media S.A.	Frontiers Media S.A., 1, 1.64% Frontiers Media S.A. 1 publication, 1.64%
Taylor & Francis	Taylor & Francis, 1, 1.64% Taylor & Francis 1 publication, 1.64%
Annual Reviews	Annual Reviews, 1, 1.64% Annual Reviews 1 publication, 1.64%
	5 10 15 20 25

We do not take into account publications that without a DOI.
Statistics recalculated only for publications connected to researchers, organizations and labs registered on the platform.
Statistics recalculated weekly.

{"yearsCitations":{"type":"bar","data":{"show":true,"labels":[2016,2017,2018,2019,2020,2021,2022,2023,2024],"ids":[0,0,0,0,0,0,0,0,0],"codes":[0,0,0,0,0,0,0,0,0],"imageUrls":["","","","","","","","",""],"datasets":[{"label":"Citations number","data":[2,9,9,4,9,12,7,7,2],"backgroundColor":["#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6"],"percentage":["3.28","14.75","14.75","6.56","14.75","19.67","11.48","11.48","3.28"],"barThickness":null}]},"options":{"indexAxis":"x","maintainAspectRatio":true,"scales":{"y":{"ticks":{"precision":0,"autoSkip":false,"font":{"family":"Montserrat"},"color":"#000000"}},"x":{"ticks":{"stepSize":1,"precision":0,"font":{"family":"Montserrat"},"color":"#000000"}}},"plugins":{"legend":{"position":"top","labels":{"font":{"family":"Montserrat"},"color":"#000000"}},"title":{"display":true,"text":"Citations per year","font":{"size":24,"family":"Montserrat","weight":600},"color":"#000000"}}}},"journals":{"type":"bar","data":{"show":true,"labels":["Journal of Physical Chemistry B","Journal of the American Chemical Society","Physical Chemistry Chemical Physics","Proceedings of the National Academy of Sciences of the United States of America","Journal of Chemical Physics","Biophysical Reviews","Journal of Biological Chemistry","Photochemistry and Photobiology","Journal of Physical Chemistry A","Chemical Reviews","Russian Journal of Physical Chemistry A","Chemical Physics Letters","Journal of Chemical Information and Modeling","Faraday Discussions","Bulletin of the Chemical Society of Japan","Frontiers in Molecular Biosciences","Photochemical and Photobiological Sciences","Scientific Reports","Nature Computational Science","Journal of Computational Chemistry","Angewandte Chemie - International Edition","Angewandte Chemie","ACS Infectious Diseases","Accounts of Chemical Research","Chemical Science","Molecular Physics","Wiley Interdisciplinary Reviews: Computational Molecular Science","Advances in Experimental Medicine and Biology","Methods in Enzymology"],"ids":[14990,4813,1773,306,544,79,19451,2408,15255,13718,6134,5579,13608,19474,20870,3133,2532,13767,28387,423,19215,25450,7781,1526,9646,22688,22866,17590,24566],"codes":[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0],"imageUrls":["\/storage\/images\/resized\/iLiQsFqFaSEx6chlGQ5fbAwF6VYU3WWa08hkss0g_medium.webp","\/storage\/images\/resized\/iLiQsFqFaSEx6chlGQ5fbAwF6VYU3WWa08hkss0g_medium.webp","\/storage\/images\/resized\/leiAYcRDGTSl5B1eCnwpSGqmDEUEfDPPoYisFGhT_medium.webp","\/storage\/images\/resized\/mxFdPe9qujsfvfYfcN0QOclAiYORFb0xrRlwV8gs_medium.webp","\/storage\/images\/resized\/ARM4e6URKRsbRZvIF0vFis9DjxGloBjnBYJXbHmZ_medium.webp","\/storage\/images\/resized\/voXLqlsvTwv5p3iMQ8Dhs95nqB4AXOG7Taj7G4ra_medium.webp","\/storage\/images\/resized\/OuA6WPZekwEiUM99mP2pSqj4yHPxHezM6xgLhAjO_medium.webp","\/storage\/images\/resized\/bRyGpdm98BkAUYiK1YFNpl5Z7hPu6Gd87gbIeuG3_medium.webp","\/storage\/images\/resized\/iLiQsFqFaSEx6chlGQ5fbAwF6VYU3WWa08hkss0g_medium.webp","\/storage\/images\/resized\/iLiQsFqFaSEx6chlGQ5fbAwF6VYU3WWa08hkss0g_medium.webp","\/storage\/images\/resized\/oZgeErrVFhuDksyqFURLvYS1wtVSBWczh001igGo_medium.webp","\/storage\/images\/resized\/GDnYOu1UpMMfMMRV6Aqle4H0YLLsraeD9IP9qScG_medium.webp","\/storage\/images\/resized\/iLiQsFqFaSEx6chlGQ5fbAwF6VYU3WWa08hkss0g_medium.webp","\/storage\/images\/resized\/leiAYcRDGTSl5B1eCnwpSGqmDEUEfDPPoYisFGhT_medium.webp","\/storage\/images\/resized\/ktSZPrGjOMvauY6mn7jk8bqo3Af0S6abv653w90B_medium.webp","\/storage\/images\/resized\/4QWA67eqfcfyOiA8Wk7YnqroHFqQbTsmDJUYTCTg_medium.webp","\/storage\/images\/resized\/voXLqlsvTwv5p3iMQ8Dhs95nqB4AXOG7Taj7G4ra_medium.webp","\/storage\/images\/resized\/voXLqlsvTwv5p3iMQ8Dhs95nqB4AXOG7Taj7G4ra_medium.webp","\/storage\/images\/resized\/voXLqlsvTwv5p3iMQ8Dhs95nqB4AXOG7Taj7G4ra_medium.webp","\/storage\/images\/resized\/bRyGpdm98BkAUYiK1YFNpl5Z7hPu6Gd87gbIeuG3_medium.webp","\/storage\/images\/resized\/bRyGpdm98BkAUYiK1YFNpl5Z7hPu6Gd87gbIeuG3_medium.webp","\/storage\/images\/resized\/bRyGpdm98BkAUYiK1YFNpl5Z7hPu6Gd87gbIeuG3_medium.webp","\/storage\/images\/resized\/iLiQsFqFaSEx6chlGQ5fbAwF6VYU3WWa08hkss0g_medium.webp","\/storage\/images\/resized\/iLiQsFqFaSEx6chlGQ5fbAwF6VYU3WWa08hkss0g_medium.webp","\/storage\/images\/resized\/leiAYcRDGTSl5B1eCnwpSGqmDEUEfDPPoYisFGhT_medium.webp","\/storage\/images\/resized\/5YZtvLvkPZuc2JHOaZsjCvGSHFCuC3drUwN3YAc5_medium.webp","\/storage\/images\/resized\/bRyGpdm98BkAUYiK1YFNpl5Z7hPu6Gd87gbIeuG3_medium.webp","\/storage\/images\/resized\/voXLqlsvTwv5p3iMQ8Dhs95nqB4AXOG7Taj7G4ra_medium.webp","\/storage\/images\/resized\/GDnYOu1UpMMfMMRV6Aqle4H0YLLsraeD9IP9qScG_medium.webp"],"datasets":[{"label":"","data":[10,6,4,4,2,2,2,2,2,2,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1],"backgroundColor":["#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6"],"percentage":[16.39,9.84,6.56,6.56,3.28,3.28,3.28,3.28,3.28,3.28,1.64,1.64,1.64,1.64,1.64,1.64,1.64,1.64,1.64,1.64,1.64,1.64,1.64,1.64,1.64,1.64,1.64,1.64,1.64],"barThickness":13}]},"options":{"indexAxis":"y","maintainAspectRatio":false,"scales":{"y":{"ticks":{"precision":0,"autoSkip":false,"font":{"family":"Montserrat"},"color":"#000000"}},"x":{"ticks":{"stepSize":null,"precision":0,"font":{"family":"Montserrat"},"color":"#000000"}}},"plugins":{"legend":{"position":"top","labels":{"font":{"family":"Montserrat"},"color":"#000000"}},"title":{"display":true,"text":"Journals","font":{"size":24,"family":"Montserrat","weight":600},"color":"#000000"}}}},"publishers":{"type":"bar","data":{"show":true,"labels":["American Chemical Society (ACS)","Royal Society of Chemistry (RSC)","Springer Nature","Wiley","Proceedings of the National Academy of Sciences (PNAS)","Elsevier","American Institute of Physics (AIP)","American Society for Biochemistry and Molecular Biology","Pleiades Publishing","The Chemical Society of Japan","Frontiers Media S.A.","Taylor & Francis","Annual Reviews"],"ids":[40,123,8,11,162,17,250,2090,101,6950,208,18,6941],"codes":[0,0,0,0,0,0,0,0,0,0,0,0,0],"imageUrls":["\/storage\/images\/resized\/iLiQsFqFaSEx6chlGQ5fbAwF6VYU3WWa08hkss0g_medium.webp","\/storage\/images\/resized\/leiAYcRDGTSl5B1eCnwpSGqmDEUEfDPPoYisFGhT_medium.webp","\/storage\/images\/resized\/voXLqlsvTwv5p3iMQ8Dhs95nqB4AXOG7Taj7G4ra_medium.webp","\/storage\/images\/resized\/bRyGpdm98BkAUYiK1YFNpl5Z7hPu6Gd87gbIeuG3_medium.webp","\/storage\/images\/resized\/mxFdPe9qujsfvfYfcN0QOclAiYORFb0xrRlwV8gs_medium.webp","\/storage\/images\/resized\/GDnYOu1UpMMfMMRV6Aqle4H0YLLsraeD9IP9qScG_medium.webp","\/storage\/images\/resized\/ARM4e6URKRsbRZvIF0vFis9DjxGloBjnBYJXbHmZ_medium.webp","\/storage\/images\/resized\/OuA6WPZekwEiUM99mP2pSqj4yHPxHezM6xgLhAjO_medium.webp","\/storage\/images\/resized\/oZgeErrVFhuDksyqFURLvYS1wtVSBWczh001igGo_medium.webp","\/storage\/images\/resized\/ktSZPrGjOMvauY6mn7jk8bqo3Af0S6abv653w90B_medium.webp","\/storage\/images\/resized\/4QWA67eqfcfyOiA8Wk7YnqroHFqQbTsmDJUYTCTg_medium.webp","\/storage\/images\/resized\/5YZtvLvkPZuc2JHOaZsjCvGSHFCuC3drUwN3YAc5_medium.webp","\/storage\/images\/resized\/A7oGMwx1m3fFJlKJvQUVra8h0itmEa7JZW0q3Q0b_medium.webp"],"datasets":[{"label":"","data":[23,6,6,6,4,3,2,2,1,1,1,1,1],"backgroundColor":["#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6"],"percentage":[37.7,9.84,9.84,9.84,6.56,4.92,3.28,3.28,1.64,1.64,1.64,1.64,1.64],"barThickness":13}]},"options":{"indexAxis":"y","maintainAspectRatio":false,"scales":{"y":{"ticks":{"precision":0,"autoSkip":false,"font":{"family":"Montserrat"},"color":"#000000"}},"x":{"ticks":{"stepSize":null,"precision":0,"font":{"family":"Montserrat"},"color":"#000000"}}},"plugins":{"legend":{"position":"top","labels":{"font":{"family":"Montserrat"},"color":"#000000"}},"title":{"display":true,"text":"Publishers","font":{"size":24,"family":"Montserrat","weight":600},"color":"#000000"}}}}}

Publication PDF

Metrics

Cite this

GOST |

Cite this

GOST Copy

Domratcheva T. et al. Evidence for Tautomerisation of Glutamine in BLUF Blue Light Receptors by Vibrational Spectroscopy and Computational Chemistry // Scientific Reports. 2016. Vol. 6. No. 1. 22669

GOST all authors (up to 50) Copy

Domratcheva T., Hartmann E., Schlichting I., Kottke T. Evidence for Tautomerisation of Glutamine in BLUF Blue Light Receptors by Vibrational Spectroscopy and Computational Chemistry // Scientific Reports. 2016. Vol. 6. No. 1. 22669

RIS |

Cite this

RIS Copy

TY - JOUR

DO - 10.1038/srep22669

UR - https://doi.org/10.1038%2Fsrep22669

TI - Evidence for Tautomerisation of Glutamine in BLUF Blue Light Receptors by Vibrational Spectroscopy and Computational Chemistry

T2 - Scientific Reports

AU - Domratcheva, Tatiana

AU - Hartmann, Elisabeth

AU - Schlichting, Ilme

AU - Kottke, Tilman

PY - 2016

DA - 2016/03/07 00:00:00

PB - Springer Nature

IS - 1

VL - 6

PMID - 26947391

SN - 2045-2322

ER -

BibTex

Cite this

BibTex Copy

@article{2016_Domratcheva,

author = {Tatiana Domratcheva and Elisabeth Hartmann and Ilme Schlichting and Tilman Kottke},

title = {Evidence for Tautomerisation of Glutamine in BLUF Blue Light Receptors by Vibrational Spectroscopy and Computational Chemistry},

journal = {Scientific Reports},

year = {2016},

volume = {6},

publisher = {Springer Nature},

month = {mar},

url = {https://doi.org/10.1038%2Fsrep22669},

number = {1},

doi = {10.1038/srep22669}

}

Found error?

Publisher

Springer Nature

Journal

Scientific Reports

Quartile SCImago

Quartile WOS

Impact factor

4.6

ISSN

20452322 (Print)

Profiles

Domratcheva, T