Conformations of Gly(n)H+ and Ala(n)H+ peptides in the gas phase

Biophysical Journal

Volumn 76, Issue 3, 1999, Pages 1591-1597

  Hudgins, Robert R ^a   Mao, Yi ^a   Ratner, Mark A ^a   Jarrold, Martin F ^a  

^a NORTHWESTERN UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALANINE; GLYCINE; PEPTIDE;

AMINO TERMINAL SEQUENCE; ARTICLE; ENERGY TRANSFER; GAS; HYDROGEN BOND; ION CURRENT; MASS SPECTROMETRY; MOLECULAR DYNAMICS; PROTEIN CONFORMATION; SIMULATION; SOLVATION;

EID: 0033014467     PISSN: 00063495     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0006-3495(99)77318-2     Document Type: Article

References (30)

1. Brooks, B. R., R. E. Bruccoleri, B. D. Olafson, D. J. States, S. Swaminathan, and M. Karplus. 1983. CHARMM: a program for macromolecular energy minimization and dynamics calculations. J. Comput. Chem. 4:187-217.
2. Chakrabartty, A. and R. L. Baldwin. 1995. Stability of α-helices. Adv. Protein Chem. 46:141-176.
3. Chou, P. Y. and G. D. Fasman. 1974. Prediction of protein conformation. Biochemistry. 13:222-245.
4. Clemmer, D. E., R. R. Hudgins, and M. F. Jarrold. 1995. Naked protein conformations: cytochrome c in the gas phase. J. Am. Chem. Soc. 117:10141-10142.
5. Collings, B. A., and D. J. Douglas. 1996. Conformation of gas-phase myoglobin ions. J. Am. Chem. Soc. 118:4488-4489.
6. Counterman, A. E., S. J. Valentine, C. A. Srebalus, S.C. Henderson, C. S. Hoagland, D. E. Clemmer. 1998. High-order structure and dissociation of gaseous peptide aggregates that are hidden in mass spectra. J. Am. Soc. Mass. Spectrom. 9:743-759.
7. Daggett, V., and M. Levitt. 1992. Molecular dynamics simulations of helix denaturation. J. Mol. Biol. 223:1121-1138.
8. Daura, X., W. van Gunsteren, D. Rigo, B. Jaun, and D. Seebach. 1997. Studying the stability of a helical β-heptapeptide by molecular dynamics simulations. Chem. Eur. J. 3:1410-1417.
9. 30 in vacuo and in solution. J. Am. Chem. Soc. 113: 6145-6155.
10. Doruker, P., and I. Bahar. 1997. Role of water on unfolding kinetics of helical peptides studied by molecular dynamics simulations. Biophys. J. 72:2445-2456.
11. Dugourd, P., R. R. Hudgins, D. E. Clemmer, and M. F. Jarrold. 1997. High-resolution ion mobility measurements. Rev. Sci. Instrum. 68: 1122-1129.
12. Gross, D. S., P. D. Schnier, S. E. Rodriguez-Cruz, C. K. Fagerquist, and E. R. Williams. 1996. Conformations and folding of lysozyme ions in vacuo. Proc. Natl. Acad. Sci. USA. 93:3143-3148.
13. Hudgins, R. R., J. Woenckhaus, and M. F. Jarrold. 1997. High resolution ion mobility measurements for gas phase proteins: correlation between solution phase and gas phase conformations. Int. J. Mass. Spectrom. Ion. Proc. 165/166:497-507.
14. Kaltashov, I. A., and C. Fenselau. 1997. Stability of secondary structural elements in a solvent-free environment: the α-helix. Proteins Struct. Funct. Genet. 27:165-170.
15. Klassen, J. S., A. T. Blades, and P. Kebarle. 1995. Determinations of ion-molecule equilibria involving ions produced by electrospray: hydration of protonated amines, diamines, and some small peptides. J. Phys. Chem. 99:15509-15517.
16. Klein, C. T., B. Mayer, G. Kohler, and P. Wolschann. 1996. Influence of solvation on helix formation of poly-alanine studied by multiple annealing simulations. J. Mol. Struct. 370:33-43.
17. Marqusee, S., V. H. Robbins, and R. L. Baldwin. 1989. Unusually stable helix formation in short alanine-based peptides. Proc. Natl Acad. Sci. USA 86:5286-5290.
18. Mason, E. A., and E. W. McDaniel. 1988. Transport Properties of Ions in Gases. Wiley-Liss, Inc., New York.
19. Mesleh, M. F., J. M. Hunter, A. A. Shvartsburg, G. C. Schatz, and M. E. Jarrold. 1996. Structural information from ion mobility measurements: effects of the long-range potential. J. Phys. Chem. 100:16082-16086.
20. O'Neil, K. T., and W. F. DeGrado. 1990. A thermodynamic scale for the helix-forming tendencies of the commonly occurring amino acids. Science. 250:646-651.
21. Suckau, D., Y. Shi, S. C. Beu, M. W. Senko, J. P. Quinn, F. M. Wampler, and F. W. McLafferty. 1993. Coexisting stable conformations of gaseous protein ions. Proc. Natl. Acad. Sci. USA. 90:790-793.
22. Sullivan, P. A., J. Axelsson, S. Altmann, A. P. Quist, B. U. R. Sundqvist, and C. T. Reimann. 1996. Defect formation on surfaces bombarded by energetic multiply charged proteins: implications for the conformation of gas-phase electrosprayed ions. J. Am. Soc. Mass. Spectrom. 7:329-341.
23. Valentine, S. J., J. G. Anderson, A. D. Ellington, and D. E. Clemmer. 1997. Disulfide-intact and -reduced lysozyme in the gas phase: conformations and pathways of folding and unfolding. J. Phys. Chem. B. 101: 3891-3900.
24. Van Gunsteren, W. F., and H. J. Berendsen. 1977. Algorithms for macro-molecular dynamics and constraint dynamics. Mol. Phys. 34:1311-1327.
25. Wang, L., T. O'Connell, A. Tropsha, and J. Hermans. 1996. Energetic decomposition of the α-helix-coil equilibrium of a dynamic model system. Biopolymers. 39:479-489.
26. Weiner, S. J., P. A. Kollman, D. A. Case, U. C. Singh, C. Ghio, G. Alagona, S. Profeta, and P. Weiner. 1984. A new force field for molecular mechanical simulation of nucleic acids and proteins. J. Am. Chem. Sac. 106:765-784.
27. Wyttenbach, T., J. E. Bushnell, M. T. Bowers. 1998. Salt bridge structures in the absence of solvent: the case for the oligoglycines. J. Am. Chem. Soc. 120:5098-5103.
28. Wyttenbach, T., G. von Helden, and M. T. Bowers. 1996. Gas-phase conformation of biological molecules: bradykinin. J. Am. Chem. Soc. 118:8355-8364.
29. Young, W. S., and C. L. Brooks. 1996. A microscopic view of helix propagation: N and C-terminal helix growth in alanine helices. J. Mol. Biol. 259:560-572.
30. Zhang, K., D. M. Zimmerman, A. Chung-Phillips, and C. J. Cassady. 1993. Experimental and ab initio studies of the gas-phase basicities of polyglycines. J. Am. Chem. Soc. 115:10812-10822.