| Title |
Chemically accurate protein structures: Validation of protein NMR structures by comparison of measured and predicted pKa values
|
|---|---|
| Published in |
Journal of Biomolecular NMR, June 2006
|
| DOI | 10.1007/s10858-006-9003-3 |
| Pubmed ID | |
| Authors |
N. Powers, Jan H. Jensen |
| Abstract |
A new method is presented for evaluating the quality of protein structures obtained by NMR. This method exploits the dependence between measurable chemical properties of a protein, namely pKa values of acidic residues, and protein structure. The accurate and fast empirical computational method employed by the PROPKA program ( http://www.propka.chem.uiowa.edu) allows the user to test the ability of a given structure to reproduce known pKa values, which in turn can be used as a criterion for the selection of more accurate structures. We demonstrate the feasibility of this novel idea for a series of proteins for which both NMR and X-ray structures, as well as pKa values of all ionizable residues, have been determined. For the 17 NMR ensembles used in this study, this criterion is shown effective in the elimination of a large number of NMR structure ensemble members. |
Mendeley readers
The data shown below were compiled from readership statistics for 32 Mendeley readers of this research output. Click here to see the associated Mendeley record.
Geographical breakdown
| Country | Count | As % |
|---|---|---|
| France | 1 | 3% |
| Brazil | 1 | 3% |
| Mexico | 1 | 3% |
| Denmark | 1 | 3% |
| Russia | 1 | 3% |
| Unknown | 27 | 84% |
Demographic breakdown
| Readers by professional status | Count | As % |
|---|---|---|
| Researcher | 11 | 34% |
| Professor > Associate Professor | 6 | 19% |
| Student > Bachelor | 3 | 9% |
| Professor | 3 | 9% |
| Student > Ph. D. Student | 2 | 6% |
| Other | 5 | 16% |
| Unknown | 2 | 6% |
| Readers by discipline | Count | As % |
|---|---|---|
| Chemistry | 14 | 44% |
| Agricultural and Biological Sciences | 8 | 25% |
| Biochemistry, Genetics and Molecular Biology | 6 | 19% |
| Pharmacology, Toxicology and Pharmaceutical Science | 1 | 3% |
| Physics and Astronomy | 1 | 3% |
| Other | 1 | 3% |
| Unknown | 1 | 3% |
Attention Score in Context
This research output has an Altmetric Attention Score of 8. This is our high-level measure of the quality and quantity of online attention that it has received. This Attention Score, as well as the ranking and number of research outputs shown below, was calculated when the research output was last mentioned on 29 July 2014.
All research outputs
#4,053,024
of 22,710,079 outputs
Outputs from Journal of Biomolecular NMR
#50
of 614 outputs
Outputs of similar age
#10,243
of 64,563 outputs
Outputs of similar age from Journal of Biomolecular NMR
#1
of 6 outputs
Altmetric has tracked 22,710,079 research outputs across all sources so far. Compared to these this one has done well and is in the 82nd percentile: it's in the top 25% of all research outputs ever tracked by Altmetric.
So far Altmetric has tracked 614 research outputs from this source. They receive a mean Attention Score of 2.9. This one has done particularly well, scoring higher than 91% of its peers.
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We're also able to compare this research output to 6 others from the same source and published within six weeks on either side of this one. This one has scored higher than all of them