8RD6
the C-terminal domain of TonB protein from Salmonella enterica.
Summary for 8RD6
| Entry DOI | 10.2210/pdb8rd6/pdb |
| NMR Information | BMRB: 34887 |
| Descriptor | Protein TonB (1 entity in total) |
| Functional Keywords | protein, tonb, transport protein |
| Biological source | Salmonella enterica |
| Total number of polymer chains | 1 |
| Total formula weight | 10054.52 |
| Authors | |
| Primary citation | Klukowski, P.,Damberger, F.F.,Allain, F.H.,Iwai, H.,Kadavath, H.,Ramelot, T.A.,Montelione, G.T.,Riek, R.,Guntert, P. The 100-protein NMR spectra dataset: A resource for biomolecular NMR data analysis. Sci Data, 11:30-30, 2024 Cited by PubMed Abstract: Multidimensional NMR spectra are the basis for studying proteins by NMR spectroscopy and crucial for the development and evaluation of methods for biomolecular NMR data analysis. Nevertheless, in contrast to derived data such as chemical shift assignments in the BMRB and protein structures in the PDB databases, this primary data is in general not publicly archived. To change this unsatisfactory situation, we present a standardized set of solution NMR data comprising 1329 2-4-dimensional NMR spectra and associated reference (chemical shift assignments, structures) and derived (peak lists, restraints for structure calculation, etc.) annotations. With the 100-protein NMR spectra dataset that was originally compiled for the development of the ARTINA deep learning-based spectra analysis method, 100 protein structures can be reproduced from their original experimental data. The 100-protein NMR spectra dataset is expected to help the development of computational methods for NMR spectroscopy, in particular machine learning approaches, and enable consistent and objective comparisons of these methods. PubMed: 38177162DOI: 10.1038/s41597-023-02879-5 PDB entries with the same primary citation |
| Experimental method | SOLUTION NMR |
Structure validation
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