ArticleJournal of biomolecular NMR2008
Numbat: an interactive software tool for fitting Deltachi-tensors to molecular coordinates using pseudocontact shifts.
Article in Journal of biomolecular NMR, 2008. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 64 papers.
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64 citing papers in PubMed, 163 citations in OpenAlex.
- Incorporation of residual chemical shift anisotropy into the treatment ofJournal of magnetic resonance (San Diego, Calif. : 1997) · 2022Article
- Paramagnetic Chemical Probes for Studying Biological Macromolecules.Chemical reviews · 2022Review
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- Characterizing conformational ensembles of multi-domain proteins using anisotropic paramagnetic NMR restraints.Biophysical reviews · 2022Review
- An automated iterative approach for protein structure refinement using pseudocontact shifts.Journal of biomolecular NMR · 2021Article
- Conformational ensemble of a multidomain protein explored by GdBiophysical journal · 2021Article
- NMR pseudocontact shifts in a symmetric protein homotrimer.Journal of biomolecular NMR · 2020Article
- Paramagnetic NMR in drug discovery.Journal of biomolecular NMR · 2020Review
- Paramagpy: software for fitting magnetic susceptibility tensors using paramagnetic effects measured in NMR spectra.Magnetic resonance (Gottingen, Germany) · 2020Article
- A Double-Armed, Hydrophilic Transition Metal Complex as a Paramagnetic NMR Probe.Angewandte Chemie (International ed. in English) · 2019Review
- Localization of ligands within human carbonic anhydrase II usingChemical science · 2019Article
- Protein Structure Determination in Living Cells.International journal of molecular sciences · 2019Review
- Conformationally locked lanthanide chelating tags for convenient pseudocontact shift protein nuclear magnetic resonance spectroscopy.Journal of biomolecular NMR · 2018Article
- Farseer-NMR: automatic treatment, analysis and plotting of large, multi-variable NMR data.Journal of biomolecular NMR · 2018Article
- Structural Basis of Protein Kinase Cα Regulation by the C-Terminal Tail.Biophysical journal · 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
- Long-range paramagnetic NMR data can provide a closer look on metal coordination in metalloproteins.Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry · 2018Article
- Methyl group assignment using pseudocontact shifts with PARAssign.Journal of biomolecular NMR · 2017Article
- Structure restraints from heteronuclear pseudocontact shifts generated by lanthanide tags at two different sites.Journal of biomolecular NMR · 2017Article
- Model-free extraction of spin label position distributions from pseudocontact shift data.Chemical science · 2017Article
4 more citing papers are in PubMed but not listed here.
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Authors and funding
5 authors at 2 institutions in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Pseudocontact shift (PCS) effects induced by a paramagnetic lanthanide bound to a protein have become increasingly popular in NMR spectroscopy as they yield a complementary set of orientational and long-range structural restraints. PCS are a manifestation of the chi-tensor anisotropy, the Deltachi-tensor, which in turn can be determined from the PCS. Once the Deltachi-tensor has been determined, PCS become powerful long-range restraints for the study of protein structure and protein-ligand complexes. Here we present the newly developed package Numbat (New User-friendly Method Built for Automatic Deltachi-Tensor determination). With a Graphical User Interface (GUI) that allows a high degree of interactivity, Numbat is specifically designed for the computation of the complete set of Deltachi-tensor parameters (including shape, location and orientation with respect to the protein) from a set of experimentally measured PCS and the protein structure coordinates. Use of the program for Linux and Windows operating systems is illustrated by building a model of the complex between the E. coli DNA polymerase III subunits epsilon186 and theta using PCS.
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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.