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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...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Elsevier
2015
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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. |
format | Online Article Text |
id | pubmed-4576366 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | Elsevier |
record_format | MEDLINE/PubMed |
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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