| Autor: |
Garbuzynskiy, S. O., Finkelstein, A. V., Galzitskaya, O. V. |
| Předmět: |
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| Zdroj: |
Molecular Biology; Nov2005, Vol. 39 Issue 6, p906-914, 9p, 1 Diagram, 1 Chart, 2 Graphs |
| Abstrakt: |
An approach to predicting folding nuclei in globular proteins with known three-dimensional structures is proposed. This approach is based on the pinpointing of the lowest saddle points on the barrier between the unfolded state and native structure on the free-energy landscape of a protein chain; the proposed technique uses the dynamic programming method. A comparison of calculation results with experimental data on the folding nuclei of 21 proteins shows that the model provides good Φ value predictions for protein structures determined by X-ray analysis and, less successfully, in structures determined by nuclear magnetic resonance. Consideration of the whole ensemble of transition states provides a better prediction of folding nuclei than consideration of only transition states with lowest free energies. In addition, we predict the location of folding nuclei in three-dimensional structures of some proteins whose folding kinetics is being studied, but there is no experimental evidence concerning their folding nuclei. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
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