Quantum behavior of water protons in protein hydration shell

Biophysical Journal

Volumn 96, Issue 5, 2009, Pages 1939-1943

  Pagnotta, S E ^a   Bruni, F ^b   Senesi, R ^c   Pietropaolo, A ^b  

^a CENTRO MIXTO CSIC UPV EHU   (Spain)

^b CNR   (Italy)

^c UNIVERSITY OF ROME TOR VERGATA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

LYSOZYME; PROTON; WATER; PROTEIN;

ARTICLE; CASE REPORT; CONTROLLED STUDY; DIELECTRIC CONSTANT; ENVIRONMENTAL TEMPERATURE; ENZYME DEGRADATION; HUMAN; HYDRATION; MOLECULAR DYNAMICS; NEUTRON SCATTERING; PROTON TRANSPORT; QUANTUM YIELD; SPECTROSCOPY; ALGORITHM; CHEMISTRY; HYDROGENATION; NEUTRON; RADIATION SCATTERING; TEMPERATURE;

ALGORITHMS; HYDROGENATION; NEUTRONS; PROTEINS; PROTONS; SCATTERING, RADIATION; SPECTRUM ANALYSIS; TEMPERATURE; WATER;

EID: 65549164365     PISSN: 00063495     EISSN: 15420086     Source Type: Journal    
DOI: 10.1016/j.bpj.2008.10.062     Document Type: Article

References (35)

1. Wolfenden, R., and M. J. Snider. 2001. The depth of chemical time and the power of enzyme as catalysts. Acc. Chem. Res. 34:938-945.
2. Lad, C., N. H. Williams, and R. Wolfenden. 2003. The rate of hydrolysis of phosphomonoester dianions and the exceptional catalytic profi-ciencies of protein and inositol phosphatases. Proc. Natl. Acad. Sci. USA. 100:5607-5610.
3. Glasstone, S., K. J. Laidler, and H. Eyring. 1941. The Theory of Rate Process. McGraw-Hill, New York.
4. Dutton, P. L., A. W. Munro, N. S. Scrutton, and M. J. Sutcliffe. 2006. Phil. Trans. R. Soc. B. 361:1293-1294.
5. Garcia-Viloca, M., J. Gao, M. Karplus, and D. G. Truhlar. 2004. How enzymes work: analysis by modern rate theory and computer simulations. Science. 303:186-195.
6. Marcus, R. A., and N. Sutin. 1985. Electron transfer in chemistry and biology. Biochim. Biophys. Acta. 811:265-322.
7. Bahnson, B. J., and J. P. Klinman. 1995. Hydrogen tunneling in enzyme catalysis. Methods Enzymol. 249:373-397.
8. Sutcliffe, M. J., and N. S. Scrutton. 2000. Enzyme catalysis: over-the-barrier or. through-the- barrier? Trends Biochem. Sci. 25:405-408.
9. Masgrau, L., J. Basran, P. Hothi, M. J. Sutcliffe, and N. S. Scrutton. 2004. Hydrogen tunneling in quinoproteins. Arch. Biochem. Biophys. 428:41-51.
10. Bruno, W. J., and W. Bialek. 1992. Vibrationally enhanced tunneling as a mechanism for enzymatic hydrogen transfer. Biophys. J. 63:689-699.
11. Antoniou, D., and S. D. Schwartz. 1997. Large kinetic isotopic effects in enzymatic proton transfer and the role of substrate oscillation. Proc. Natl. Acad. Sci. USA. 94:12360-12365.
12. Eisenmesser, E. Z., D. A. Bosco, M. Akke, and D. Kern. 2002. Enzyme dynamics during catalysis. Science. 295:1520-1523.
13. Eisenmesser, E. Z., O. Millet, W. Labeikovsky, D. M. Korzhnev, M. Wolf-Watz, et al. 2005. Intrinsic dynamics of an enzyme underlies catalysis. Nature. 438:117-121.
14. Basran, J., M. J. Sutcliff, and N. S. Scrutton. 1999. Enzymatic H-transfer requires vibration-driven extreme tunneling. Biochemistry. 38:3218-3222.
15. Vitkup, D., D. Ringe, G. A. Petsko, and M. Karplus. 2000. Solvent mobility and the protein glass transition. Nat. Struct. Biol. 7:34-38.
16. Roh, J. H., V. N. Novikov, R. B. Gregory, J. E. Curtis, Z. Chowdhuri, et al. 2005. Onsets of anharmonicity in protein dynamics. Phys. Rev. Lett. 95:0381011-0381014.
17. Fenimore, P. W., H. Frauenfelder, B. H. McMahon, and R. D. Young. 2004. Bulk-solvent and hydration-shell fluctuations, similar to - and -fluctuations in glasses, control protein motions and functions. Proc. Natl. Acad. Sci. USA. 101:14408-14413.
18. Rupley, J. A., and G. Careri. 1991. Protein hydration and function. Adv. Protein Chem. 41:37-172.
19. Pethig, R. 1992. Protein-water interactions determined by dielectric methods. Annu. Rev. Phys. Chem. 43:177-205.
20. Careri, G. 1998. Cooperative charge fluctuations by migrating protons in globular proteins. Prog. Biophys. Mol. Biol. 70:223-249.
21. Bruni, F., and S. E. Pagnotta. 2004. Dielectric investigation of the temperature dependence of the dynamics of a hydrated protein. Phys. Chem. Chem. Phys. 6:1912-1919.
22. Kremer, F., and A. Schnhals. 2002. Broadband Dielectric Spectroscopy. Springer, Berlin.
23. Feldman, Y., R. Nigmatullin, E. Polygalov, and J. Texter. 1998. Fractal-polarization correction in time domain dielectric spectroscopy. Phys. Rev. E. 58:7561-7565.
24. Swenson, J., H. Jansson, and R. Bergman. 2006. Relaxation processes in supercooled confined water and implications for protein dynamics. Phys. Rev. Lett. 96:247802-247804.
25. Khodadadi, S., S. Pawlus, J. H. Roh, V. Garcia Sakai, E. Mamontov, and A. P. Sokolov. 2008. The origin of the dynamic transition in proteins. J. Chem. Phys. 128, 195106(1-5).
26. 3). J. Phys. Chem. 91:724-730.
27. Tuckerman, M. E., and D. Marx. 2001. Heavy-atom skeleton quantization and proton tunneling in "intermediate-barrier" hydrogen bonds. Phys. Rev. Lett. 86:4946-4949.
28. Duan, X., and S. Scheiner. 1992. Energetics, proton transfer rates, and kinetic isotope effects in bent hydrogen bonds. J. Am. Chem. Soc. 114:5849-5856.
29. Merzel, F., and J. C. Smith. 2002. Is the first hydration shell of lysozyme of higher. density than bulk water? Proc. Natl. Acad. Sci. USA. 99:5378-5383.
30. Senesi, R., A. Pietropaolo, A. Bocedi, S. E. Pagnotta, and F. Bruni. 2007. Proton momentum distribution in a protein hydration shell. Phys. Rev. Lett. 98:1381021-1381024.
31. Pagnotta, S. E., R. Gargana, F. Bruni, and A. Bocedi. 2005. Proton momentum distribution in a protein hydration shell. Phys. Rev. E. 71:0315061-0315064.
32. Reiter, G., and R. Silver. 1985. Measurement of interionic potentials in solids using deep-inelastic neutron scattering. Phys. Rev. Lett. 54:1047-1050.
33. Andreani, C., D. Colognesi, J. Mayers, G. F. Reiter, and R. Senesi. 2005. Measurement of momentum distribution of light atoms and molecules in condensed matter systems using inelastic neutron scattering. Adv. Phys. 54:377-469.
34. Wilson, G., L. Hecht, and L. D. Barron. 1997. Evidence for a new cooperative transition in native lysozyme from temperature-dependent Raman optical activity. J. Phys. Chem. B. 101:694-698.
35. Daniel, R. M., J. L. Finney, V. Réat, R. Dunn, M. Ferrand, et al. 1999. Enzyme dynamics and activity: timescale dependence of dynamical transitions in glutamate dehydrogenase solution. Biophys. J. 77:2184-2190.