Automated NMR resonance assignments and structure determination using a minimal set of 4D spectra
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14740%2F18%3A00101162" target="_blank" >RIV/00216224:14740/18:00101162 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1038/s41467-017-02592-z" target="_blank" >http://dx.doi.org/10.1038/s41467-017-02592-z</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1038/s41467-017-02592-z" target="_blank" >10.1038/s41467-017-02592-z</a>
Alternative languages
Result language
angličtina
Original language name
Automated NMR resonance assignments and structure determination using a minimal set of 4D spectra
Original language description
Automated methods for NMR structure determination of proteins are continuously becoming more robust. However, current methods addressing larger, more complex targets rely on analyzing 6-10 complementary spectra, suggesting the need for alternative approaches. Here, we describe 4D-CHAINS/autoNOE-Rosetta, a complete pipeline for NOE-driven structure determination of medium-to larger-sized proteins. The 4D-CHAINS algorithm analyzes two 4D spectra recorded using a single, fully protonated protein sample in an iterative ansatz where common NOEs between different spin systems supplement conventional through-bond connectivities to establish assignments of sidechain and backbone resonances at high levels of completeness and with a minimum error rate. The 4D-CHAINS assignments are then used to guide automated assignment of long-range NOEs and structure refinement in autoNOE-Rosetta. Our results on four targets ranging in size from 15.5 to 27.3 kDa illustrate that the structures of proteins can be determined accurately and in an unsupervised manner in a matter of days.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10402 - Inorganic and nuclear chemistry
Result continuities
Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2018
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Nature Communications
ISSN
2041-1723
e-ISSN
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Volume of the periodical
9
Issue of the periodical within the volume
JAN
Country of publishing house
GB - UNITED KINGDOM
Number of pages
13
Pages from-to
384
UT code for WoS article
000423430900004
EID of the result in the Scopus database
2-s2.0-85041106247