ArticleJournal of biomolecular NMR2013
PARAssign--paramagnetic NMR assignments of protein nuclei on the basis of pseudocontact shifts.
Article in Journal of biomolecular NMR, 2013. The graph could read no effect estimate from its abstract, so it casts no vote on the map. An erratum has been issued. Cited by 13 papers.
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Who cites it
13 citing papers in PubMed.
- Solution Structure of a Lanthanide-binding DNA Aptamer Determined Using High Quality pseudocontact shift restraints.Chemistry (Weinheim an der Bergstrasse, Germany) · 2022Article
- Ligand-induced structural transitions combined with paramagnetic ions facilitate unambiguous NMR assignments of methyl groups in large proteins.Journal of biomolecular NMR · 2022Article
- Paramagnetic Chemical Probes for Studying Biological Macromolecules.Chemical reviews · 2022Review
- Methyl group reorientation under ligand binding probed by pseudocontact shifts.Journal of biomolecular NMR · 2018Article
- Farseer-NMR: automatic treatment, analysis and plotting of large, multi-variable NMR data.Journal of biomolecular NMR · 2018Article
- Complete assignment of Ala, Ile, Leu, Met and Val methyl groups of human blood group A and B glycosyltransferases using lanthanide-induced pseudocontact shifts and methyl-methyl NOESY.Journal of biomolecular NMR · 2018Article
- Methyl group assignment using pseudocontact shifts with PARAssign.Journal of biomolecular NMR · 2017Article
- NMR assignments of sparsely labeled proteins using a genetic algorithm.Journal of biomolecular NMR · 2017Article
- Sequence-specific assignment of methyl groups from the neuronal SNARE complex using lanthanide-induced pseudocontact shifts.Journal of biomolecular NMR · 2016Article
- Delicate conformational balance of the redox enzyme cytochrome P450cam.Proceedings of the National Academy of Sciences of the United States of America · 2015Article
- FANTEN: a new web-based interface for the analysis of magnetic anisotropy-induced NMR data.Journal of biomolecular NMR · 2015Article
- Sparse labeling of proteins: structural characterization from long range constraints.Journal of magnetic resonance (San Diego, Calif. : 1997) · 2014Review
- How reliable are pseudocontact shifts induced in proteins and ligands by mobile paramagnetic metal tags? A modelling study.Journal of biomolecular NMR · 2013Article
Corrections and comments
- Erratum issuedKeizers, Peter H J [added]
Authors and funding
5 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The use of paramagnetic NMR data for the refinement of structures of proteins and protein complexes is widespread. However, the power of paramagnetism for protein assignment has not yet been fully exploited. PARAssign is software that uses pseudocontact shift data derived from several paramagnetic centers attached to the protein to obtain amide and methyl assignments. The ability of PARAssign to perform assignment when the positions of the paramagnetic centers are known and unknown is demonstrated. PARAssign has been tested using synthetic data for methyl assignment of a 47 kDa protein, and using both synthetic and experimental data for amide assignment of a 14 kDa protein. The complex fitting space involved in such an assignment procedure necessitates that good starting conditions are found, both regarding placement and strength of paramagnetic centers. These starting conditions are obtained through automated tensor placement and user-defined tensor parameters. The results presented herein demonstrate that PARAssign is able to successfully perform resonance assignment in large systems with a high degree of reliability. This software provides a method for obtaining the assignments of large systems, which may previously have been unassignable, by using 2D NMR spectral data and a known protein structure.
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