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Compiled data set of exact NOE distance limits, residual dipolar couplings and scalar couplings for the protein GB3

We compiled an NMR data set consisting of exact nuclear Overhauser enhancement (eNOE) distance limits, residual dipolar couplings (RDCs) and scalar (J) couplings for GB3, which forms one of the largest and most diverse data set for structural characterization of a protein to date. All data have smal...

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Autores principales: Vögeli, Beat, Olsson, Simon, Riek, Roland, Güntert, Peter
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4576366/
https://www.ncbi.nlm.nih.gov/pubmed/26504890
http://dx.doi.org/10.1016/j.dib.2015.08.020
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author Vögeli, Beat
Olsson, Simon
Riek, Roland
Güntert, Peter
author_facet Vögeli, Beat
Olsson, Simon
Riek, Roland
Güntert, Peter
author_sort Vögeli, Beat
collection PubMed
description We compiled an NMR data set consisting of exact nuclear Overhauser enhancement (eNOE) distance limits, residual dipolar couplings (RDCs) and scalar (J) couplings for GB3, which forms one of the largest and most diverse data set for structural characterization of a protein to date. All data have small experimental errors, which are carefully estimated. We use the data in the research article Vogeli et al., 2015, Complementarity and congruence between exact NOEs and traditional NMR probes for spatial decoding of protein dynamics, J. Struct. Biol., 191, 3, 306–317, doi:10.1016/j.jsb.2015.07.008 [1] for cross-validation in multiple-state structural ensemble calculation. We advocate this set to be an ideal test case for molecular dynamics simulations and structure calculations.
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spelling pubmed-45763662015-10-26 Compiled data set of exact NOE distance limits, residual dipolar couplings and scalar couplings for the protein GB3 Vögeli, Beat Olsson, Simon Riek, Roland Güntert, Peter Data Brief Data Article We compiled an NMR data set consisting of exact nuclear Overhauser enhancement (eNOE) distance limits, residual dipolar couplings (RDCs) and scalar (J) couplings for GB3, which forms one of the largest and most diverse data set for structural characterization of a protein to date. All data have small experimental errors, which are carefully estimated. We use the data in the research article Vogeli et al., 2015, Complementarity and congruence between exact NOEs and traditional NMR probes for spatial decoding of protein dynamics, J. Struct. Biol., 191, 3, 306–317, doi:10.1016/j.jsb.2015.07.008 [1] for cross-validation in multiple-state structural ensemble calculation. We advocate this set to be an ideal test case for molecular dynamics simulations and structure calculations. Elsevier 2015-09-04 /pmc/articles/PMC4576366/ /pubmed/26504890 http://dx.doi.org/10.1016/j.dib.2015.08.020 Text en © 2015 The Authors http://creativecommons.org/licenses/by/4.0/ This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/4.0/).
spellingShingle Data Article
Vögeli, Beat
Olsson, Simon
Riek, Roland
Güntert, Peter
Compiled data set of exact NOE distance limits, residual dipolar couplings and scalar couplings for the protein GB3
title Compiled data set of exact NOE distance limits, residual dipolar couplings and scalar couplings for the protein GB3
title_full Compiled data set of exact NOE distance limits, residual dipolar couplings and scalar couplings for the protein GB3
title_fullStr Compiled data set of exact NOE distance limits, residual dipolar couplings and scalar couplings for the protein GB3
title_full_unstemmed Compiled data set of exact NOE distance limits, residual dipolar couplings and scalar couplings for the protein GB3
title_short Compiled data set of exact NOE distance limits, residual dipolar couplings and scalar couplings for the protein GB3
title_sort compiled data set of exact noe distance limits, residual dipolar couplings and scalar couplings for the protein gb3
topic Data Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4576366/
https://www.ncbi.nlm.nih.gov/pubmed/26504890
http://dx.doi.org/10.1016/j.dib.2015.08.020
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