Characterization of the conformational equilibrium between the two major substates of RNase a using NMR chemical shifts

Journal of the American Chemical Society

Volumn 134, Issue 9, 2012, Pages 3968-3971

  Camilloni, Carlo ^a   Robustelli, Paul ^a,b   Simone, Alfonso De ^a,c   Cavalli, Andrea ^a   Vendruscolo, Michele ^a  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

^b Och Spine at New York Presbyterian Hospitals   (United States)

^c IMPERIAL COLLEGE LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

CONFORMATIONAL EQUILIBRIUM; CONFORMATIONAL FLUCTUATIONS; FREE ENERGY SURFACE; MOLECULAR DYNAMICS SIMULATIONS; NATIVE STATE; NMR CHEMICAL SHIFTS; PROTEIN COMPLEXES; PROTEIN STRUCTURES; RNASE A;

MOLECULAR DYNAMICS; PROTEINS;

CHEMICAL SHIFT;

RIBONUCLEASE A;

ARTICLE; CONFORMATIONAL EQUILIBRIUM; CONFORMATIONAL TRANSITION; ENZYME STRUCTURE; ENZYME SUBSTRATE; EQUILIBRIUM CONSTANT; FREE ENERGY SURFACE; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE; SIMULATION; STRUCTURE ANALYSIS; SURFACE PROPERTY;

MODELS, MOLECULAR; NUCLEAR MAGNETIC RESONANCE, BIOMOLECULAR; PROTEIN CONFORMATION; RIBONUCLEASE, PANCREATIC;

EID: 84857845204     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja210951z     Document Type: Article

References (25)

1. Cavalli, A.; Salvatella, X.; Dobson, C. M.; Vendruscolo, M. Proc. Natl. Acad. Sci. U.S.A. 2007, 104, 9615.
2. Shen, Y.; Lange, O.; Delaglio, F.; Rossi, P.; Aramini, J. M.; Liu, G. H.; Eletsky, A.; Wu, Y. B.; Singarapu, K. K.; Lemak, A.; Ignatchenko, A.; Arrowsmith, C. H.; Szyperski, T.; Montelione, G. T.; Baker, D.; Bax, A. Proc. Natl. Acad. Sci. U.S.A. 2008, 105, 4685.
3. Berjanskii, M. V.; Wishart, D. S. J. Am. Chem. Soc. 2005, 127, 14970.
4. Jensen, M. R. J. M. R.; Salmon, L.; Nodet, G.; Blackledge, M. J. Am. Chem. Soc. 2010, 132, 1270.
5. De Gortari, I.; Portella, G.; Salvatella, X.; Bajaj, V. S.; van der Wel, P. C. A.; Yates, J. R.; Segall, M. D.; Pickard, C. J.; Payne, M. C.; Vendruscolo, M. J. Am. Chem. Soc. 2010, 132, 5993.
6. Clore, G. M.; Schwieters, C. D. J. Am. Chem. Soc. 2004, 126, 2923.
7. Dedmon, M. M.; Lindorff-Larsen, K.; Christodoulou, J.; Vendruscolo, M.; Dobson, C. M. J. Am. Chem. Soc. 2005, 127, 476.
8. Huang, J. R.; Grzesiek, S. J. Am. Chem. Soc. 2010, 132, 694.
9. Lindorff-Larsen, K.; Best, R. B.; DePristo, M. A.; Dobson, C. M.; Vendruscolo, M. Nature 2005, 433, 128.
10. Kohlhoff, K. J.; Robustelli, P.; Cavalli, A.; Salvatella, X.; Vendruscolo, M. J. Am. Chem. Soc. 2009, 131, 13894.
11. Robustelli, P.; Kohlhoff, K.; Cavalli, A.; Vendruscolo, M. Structure 2010, 18, 923.
12. Richter, B.; Gsponer, J.; Varnai, P.; Salvatella, X.; Vendruscolo, M. J. Biomol. NMR 2007, 37, 117.
13. Kuriyan, J.; Petsko, G. A.; Levy, R. M.; Karplus, M. J. Mol. Biol. 1986, 190, 227.
14. Shen, Y.; Bax, A. J. Biomol. NMR 2010, 48, 13.
15. Hess, B.; Kutzner, C.; van der Spoel, D.; Lindahl, E. J. Chem. Theor. Comp. 2008, 4, 435.
16. Bonomi, M.; Branduardi, D.; Bussi, G.; Camilloni, C.; Provasi, D.; Raiteri, P.; Donadio, D.; Marinelli, F.; Pietrucci, F.; Broglia, R. A.; Parrinello, M. Comput. Phys. Commun. 2009, 180, 1961.
17. Vitagliano, L.; Merlino, A.; Zagari, A.; Mazzarella, L. Proteins 2002, 46, 97.
18. Watt, E. D.; Shimada, H.; Kovrigin, E. L.; Loria, J. P. Proc. Natl. Acad. Sci. U.S.A. 2007, 104, 11981.
19. Cole, R.; Loria, J. P. Biochemistry 2002, 41, 6072.
20. Kovrigin, E. L.; Cole, R.; Loria, J. P. Biochemistry 2003, 42, 5279.
21. Beach, H.; Cole, R.; Gill, M. L.; Loria, J. P. J. Am. Chem. Soc. 2005, 127, 9167.
22. Doucet, N.; Khirich, G.; Kovrigin, E. L.; Loria, J. P. Biochemistry 2011, 50, 1723.
23. Kovrigin, E. L.; Loria, J. P. J. Am. Chem. Soc. 2006, 128, 7724.
24. Kovrigin, E. L.; Loria, J. P. Biochemistry 2006, 45, 2636.
25. Doucet, N.; Watt, E. D.; Loria, J. P. Biochemistry 2009, 48, 7160.