Schumann, Frank H. and Riepl, Hubert and Maurer, Till and Gronwald, Wolfram and Neidig, Klaus-Peter and Kalbitzer, Hans Robert (2007) Combined chemical shift changes and amino acid specific chemical shift mapping of protein-protein interactions. JOURNAL OF BIOMOLECULAR NMR, 39 (4). pp. 275-289. ISSN 0925-2738, 1573-5001
Full text not available from this repository. (Request a copy)Abstract
Protein-protein interactions are often studied by chemical shift mapping using solution NMR spectroscopy. When heteronuclear data are available the interaction interface is usually predicted by combining the chemical shift changes of different nuclei to a single quantity, the combined chemical shift perturbation Delta delta(comb). In this paper different procedures ( published and non-published) to calculate Ddcomb are examined that include a variety of different functional forms and weighting factors for each nucleus. The predictive power of all shift mapping methods depends on the magnitude of the overlap of the chemical shift distributions of interacting and non-interacting residues and the cut-off criterion used. In general, the quality of the prediction on the basis of chemical shift changes alone is rather unsatisfactory but the combination of chemical shift changes on the basis of the Hamming or the Euclidian distance can improve the result. The corrected standard deviation to zero of the combined chemical shift changes can provide a reasonable cut-off criterion. As we show combined chemical shifts can also be applied for a more reliable quantitative evaluation of titration data.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | OVOMUCOID 3RD DOMAIN; RAS-BINDING DOMAIN; PHOSPHATASE HPTP1E; PDZ2 DOMAIN; NMR; INHIBITOR; COMPLEX; SITE; CHYMOTRYPSIN; ENZYME; chemical shift mapping; Combined chemical shift; NMR; Protein-protein interaction |
| Subjects: | 500 Science > 570 Life sciences |
| Divisions: | Biology, Preclinical Medicine > Institut für Biophysik und physikalische Biochemie Biology, Preclinical Medicine > Institut für Biophysik und physikalische Biochemie > Prof. Dr. Dr. Hans Robert Kalbitzer |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 25 Nov 2020 09:11 |
| Last Modified: | 25 Nov 2020 09:11 |
| URI: | https://pred.uni-regensburg.de/id/eprint/31858 |
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