Non-covalent interactions of alkali metal cations with singly charged tryptic peptides

Journal of Mass Spectrometry

Volumn 45, Issue 12, 2010, Pages 1409-1415

  Rožman, Marko ^a   Gaskell, Simon J ^b  

^a RUDER BO KOVI INSTITUTE   (Croatia)

^b UNIVERSITY OF MANCHESTER   (United Kingdom)

Author keywords

alkali metals; collision induced dissociation; molecular modelling; peptide structure; structure activity relationship

Indexed keywords

ALKALI METAL CATIONS; CARBONYL GROUPS; CARBONYL OXYGEN; CATION COORDINATION; CATION SIZE; CHARGE REPULSION; CHARGE SEPARATIONS; CHARGE SOLVATION; COLLISION-INDUCED DISSOCIATION; CONFORMATIONAL FLEXIBILITY; DENSITY FUNCTIONAL THEORY CALCULATIONS; FRAGMENT IONS; GLOBULAR STRUCTURE; ION MOBILITY; LOW ENERGIES; LOW-ENERGY COLLISION-INDUCED DISSOCIATION; MAIN PROCESS; MOLECULAR MODELLING; NON-COVALENT INTERACTION; PEPTIDE BONDS; PEPTIDE STRUCTURE; PRIMARY STRUCTURES; PROTONATED; SIDE CHAINS; STRUCTURAL DATA; STRUCTURE ACTIVITY RELATIONSHIPS; TRYPTIC PEPTIDES;

AMINO ACIDS; CARBONYLATION; COMPLEXATION; DENSITY FUNCTIONAL THEORY; DISSOCIATION; ELECTROMAGNETIC INDUCTION; METALS; MOLECULAR DYNAMICS; MOLECULAR MODELING; OXYGEN; POSITIVE IONS; SOLVATION;

PEPTIDES;

ALKALI METAL; CARBONYL DERIVATIVE; CATION; LITHIUM ION; OXYGEN; POTASSIUM ION; RUBIDIUM ION; SODIUM ION; TRYPSIN;

AMINO ACID SEQUENCE; AMINO TERMINAL SEQUENCE; ARTICLE; CHEMICAL INTERACTION; CHEMICAL REACTION; CHEMICAL STRUCTURE; COLLISIONALLY ACTIVATED DISSOCIATION; COMPLEX FORMATION; ELECTRICITY; ION MOBILITY SPECTROMETRY; MOLECULAR DYNAMICS; PARTICLE SIZE; PRIORITY JOURNAL; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEIN INTERACTION; PROTEIN STRUCTURE; PROTON TRANSPORT;

CATIONS; MASS SPECTROMETRY; METALS, ALKALI; MODELS, MOLECULAR; PEPTIDE FRAGMENTS; PROTEIN CONFORMATION; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; TRYPSIN;

EID: 78650717398     PISSN: 10765174     EISSN: 10969888     Source Type: Journal    
DOI: 10.1002/jms.1856     Document Type: Article

References (34)

1. J. A. Ibers, R. H. Holm,. Modeling coordination sites in metallobiomolecules. Science 1980, 209, 223.
2. J. M. Castagnetto, S. W. Hennessy, V. A. Roberts, E. D. Getzoff, J. A. Tainer, M. E. Pique,. MDB: the metalloprotein database and browser at The Scripps Research Institute. Nucl. Acids Res. 2002, 30, 379.
3. L. Stryer,. Biochemistry, W. H. Freeman: New York, 1988.
4. + in enzyme function. Physiol. Rev. 2006, 86, 1049.
5. M. J. Page, R. T. A. Macgillivray, E. Di Cera,. Determinants of specificity in coagulation proteases. J. Thromb. Haemost. 2005, 3, 2401.
6. T. Lin, G. L. Glish,. C-terminal peptide sequencing via multistage mass spectrometry. Anal. Chem. 1998, 70, 5162.
7. S. W. Lee, H. S. Kim, J. L. Beauchamp,. Salt bridge chemistry applied to gas-phase peptide sequencing: selective fragmentation of sodiated gas-phase peptide ions adjacent to aspartic acid residues. J. Am. Chem. Soc. 1998, 120, 3188.
8. M. Kohtani, B. S. Kinnear, M. F. Jarrold,. Metal-ion enhanced helicity in the gas phase. J. Am. Chem. Soc. 2000, 122, 12377.
9. B. T. Ruotolo, D. H. Russell,. Gas-phase conformations of proteolytically derived protein fragments: influence of solvent on peptide conformation. J. Phys. Chem. B 2004, 108, 153211.
10. L. M. Mallis, D. H. Russell,. Fast atom bombardment-tandem mass spectrometry studies of organo-alkali metal ions of small peptides. Anal. Chem. 1986, 58, 1076.
11. R. P. Grese, R. L. Cerny, M. L. Gross,. Metal ion-peptide interactions in the gas phase: a tandem mass spectrometry study of alkali metal cationized peptides. J. Am. Chem. Soc. 1989, 111, 2835.
12. L. M. Teesch, R. C. Orlando, J. Adams,. Location of the alkali metal ion in gas-phase peptide complexes. J. Am. Chem. Soc. 1991, 113, 3668.
13. T. Wyttenbach, J. E. Bushnell, M. T. Bowers,. Salt bridge structures in the absence of solvent? The case for the oligoglycines. J. Am. Chem. Soc. 1998, 120, 5098.
14. T. Solouki, R. C. Fort Jr., A. Alomary, A. Fattahi,. Gas phase hydrogen deuterium exchange reactions of a model peptide: FT-ICR and computational analyses of metal induced conformational mutations. J. Am. Soc. Mass Spectrom. 2001, 12, 1272.
15. B. A. Cereda, L. Cornett, C. Wesdemiotis,. Probing the interaction of alkali and transition metal ions with bradykinin and its des-arginine derivatives via matrix-assisted laser desorption/ionization and postsource decay mass spectrometry. Int. J. Mass Spectrom. 1999, 193, 205.
16. W. Y. Feng, S. Gronert, K. A. Fletcher, A. Warres, C. B. Lebrilla,. The mechanism of C-terminal fragmentations in alkali metal ion complexes of peptides. Int. J. Mass Spectrom. 2003, 222, 117.
17. H. Ai, Y. Bu, P. Li, S. Yan,. The peptide-chain size dependence of positive dissociation energy effect in metallized and protonated polydentate oligoglycine peptides. J. Chem. Phys. 2005, 123, 134307.
18. P. Wang, C. Wesdemiotis, C. Kapota, G. Ohanessian,. The sodium ion affinities of simple di-, tri-, and tetrapeptides. J. Am. Soc. Mass Spectrom. 2007, 18, 541.
19. 2+ of peptaibols using electrospray ionization mass spectrometry. J. Mass Spectrom. 1996, 31, 177.
20. D. Bensadek, F. Monigatti, J. A. J. Steen, H. Steen,. Why b, y's? Sodiation-induced tryptic peptide-like fragmentation of non-tryptic peptides. Int. J. Mass Spectrom. 2007, 268, 181.
21. M. K. Green, C. B. Lebrilla,. Ion-molecule reactions as probes of gas-phase structures of peptides and proteins. Mass Spectrom. Rev. 1997, 16, 53.
22. S. D. Pringle, K. Giles, J. L. Wildgoose, J. P. Williams, S. E. Slade, K. Thalassinos, R. H. Bateman, M. T. Bowers, J. H. Scrivens,. An investigation of the mobility separation of some peptide and protein ions using a new hybrid quadrupole/travelling wave IMS/oa-ToF instrument. Int. J. Mass Spectrom. 2006, 261, 1.
23. G. von Helden, M.-T. Hsu, N. G. Gotts, M. T. Bowers,. Carbon cluster cations with up to 84 atoms: structures, formation mechanism, and reactivity. J. Phys. Chem. 1993, 97, 8182.
24. T. Wyttenbach, G. von Helden,., J. J. Batka Jr., D. Carlat, M. T. Bowers,. Effect of the long-range potential on ion mobility measurements. J. Am. Soc. Mass Spectrom. 1997, 8, 275.
25. M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, J. A. Montgomery Jr., T. Vreven, K. N. Kudin, J. C. Burant, J. M. Millam, S. S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G. A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J. E. Knox, H. P. Hratchian, J. B. Cross, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, P. Y. Ayala, K. Morokuma, G. A. Voth, P. Salvador, J. J. Dannenberg, V. G. Zakrzewski, S. Dapprich, A. D. Daniels, M. C. Strain, O. Farkas, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. V. Ortiz, Q. Cui, A. G. Baboul, S. Clifford, J. Cioslowski, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, C. Gonzalez, J. A. Pople,. Gaussian 03, Revision B.05, Gaussian, Inc., Pittsburgh, PA, 2003.
26. J. Qin, B. T. Chait,. Preferential fragmentation of protonated gas-phase peptide ions adjacent to acidic amino acid residues. J. Am. Chem. Soc. 1995, 117, 5411.
27. A. G. Harrison,. Fragmentation reactions of protonated peptides containing glutamine or glutamic acid. J. Mass Spectrom. 2003, 38, 174.
28. B. Paizs, S. Suhai,. Fragmentation pathways of protonated peptides. Mass Spectrom. Rev. 2005, 24, 508.
29. +) with glycine in the gas phase: a theoretical study. Chem. Eur. J. 1998, 4, 1561.
30. M. Rožman,. Aspartic acid side chain effect - experimental and theoretical insight. J. Am. Soc. Mass Spectrom. 2007, 18, 121.
31. 3: exchange kinetics do not reflect parent ion structures. J. Am. Chem. Soc. 2004, 126, 6485.
32. M. Rožman, B. Bertoša, L. Klasinc, D. Srzić., Gas phase H/D exchange of sodiated amino acids: why do we see zwitterions? J. Am. Soc. Mass Spectrom. 2006, 17, 29.
33. M. Rožman,. Gas phase structure of sodiated amino acids probed by H/D exchange reactions. Croat. Chem. Acta 2005, 78, 185.
34. K. A. Newton, S. A. McLuckey,. Gas-phase peptide/protein cationising agent switching via ion/ion reactions. J. Am. Chem. Soc. 2003, 125, 12404.