Editing of Chemical Exchange-Relayed NOEs in NMR Experiments for the Observation of Protein-Water Interactions

Journal of Magnetic Resonance

Volumn 136, Issue 2, 1999, Pages 214-218

  Melacini, Giuseppe ^a   Kaptein, Robert ^a   Boelens, Rolf ^a  

^a UTRECHT UNIVERSITY   (Netherlands)

Author keywords

Chemical exchange relay; Hydration; NOE; Water

Indexed keywords

PROTEIN; WATER;

ARTICLE; CHEMISTRY; MACROMOLECULE; NUCLEAR MAGNETIC RESONANCE;

MACROMOLECULAR SUBSTANCES; NUCLEAR MAGNETIC RESONANCE, BIOMOLECULAR; PROTEINS; WATER;

EID: 0033069433     PISSN: 10907807     EISSN: None     Source Type: Journal    
DOI: 10.1006/jmre.1998.1646     Document Type: Editorial

References (35)

1. G. Otting, G. E. Liepinsh, and K. Wüthrich, Protein hydration in aqueous solution, Science 254, 974-980 (1991).
2. I. P. Gerothanassis, Multinuclear and multidimensional NMR methodology for studying individual water molecules bound to peptides and proteins in solution - Principles and applications, Prog. NMR Spectrosc. 26, 171-237 (1994).
3. M. Billeter, Hydration water molecules seen by NMR and by X-ray crystallography, Prog. NMR Spectrosc. 27, 635-645 (1995).
4. C. L. Brooks III, M. Karplus, and B. M. Pettitt, "Proteins," Wiley, New York (1988).
5. H. M. Berman, Hydration of DNA - take 2, Curr. Opinions Struct. Biol. 4, 345-350 (1994).
6. T. P. Pitner, J. D. Glickson, J. Dadok, and G. R. Marshall, Solvent exposure of specific nuclei of angiostatin II determined by NMR solvent saturation method, Nature 250, 582-584 (1974).
7. 1 H NMR double resonance study of oxytocin in aqueous solution, Biochemistry 15(5), 1111-1119 (1976).
8. G. Otting and K. Wüthrich, Studies of protein hydration in aqueous solution by direct NMR observation of individual protein-bound water molecules, J. Am. Chem. Soc. 111, 1871-1875 (1989).
9. G. Otting, NMR studies of water bound to biological molecules, Prog. Nucl. Magn. Reson. Spectrosc. 31(2-3), 259-285 (1997). [See also references cited therein].
10. F. J. M. Van de Ven, H. G. J. M. Janssen, A. Graslund, and C. W. Hilbers, Chemically relayed NOE. Connectivities between resonances of nonexchangeable protons and water, J. Magn. Reson. 79, 221-235 (1988).
11. R. Boelens, R. M. Scheek, K. Dijkstra, and R. Kaptein, Sequential assignment of imino- and amino-proton resonances in 1H NMR spectra of oligonucleotides by 2D NMR spectroscopy, application to a lac operator fragment, J. Magn. Reson. 62, 378-386 (1985). [See also references cited therein].
12. D. Johnston and A. G. Redfield, An NMR study of the exchange rates for protons involved in the secondary and tertiary structure of yeast tRNA Phe., Nucl. Acids Res. 4(10), 3599-3615 (1977).
13. 2 O. Solvent saturation and chemical exchange in superoxide dismutase, FEBS Lett. 91(2), 320-324 (1978).
14. G. Otting and E. Liepinsh, Protein hydration viewed by high-resolution NMR spectroscopy - Implications for magnetic resonance image contrast, Acc. Chem. Res. 28(4), 171-177 (1995).
15. E. Liepinsh and G. Otting, Proton exchange rates from amino acid side chains-implications for image contrast, Magn. Reson. Med. 35(1), 30 (1996).
16. K. D. Berndt, J. Beunink, W. Schrorder, and Wüthrich, K., Designed replacement of an internal hydration water molecule in BPTI: Structural and functional implications of a glycine-to-serine mutation, Biochemistry 32, 4564-4570 (1993).
17. X. Y. Wang, D. I. Freedberg, S. Grzesiek, D. A. Torchia, P. T. Wingfield, J. D. Kaufman, S. J. Stahl, C. H. Chang, and N. Hodge, Mapping hydration water molecules in the HIV-1 protease/DMP323 complex in solution by NMR spectroscopy, Biochemistry 35, 12,694-12,704, (1996).
18. E. Liepinsh, G. Otting, and K. Wüthrich, NMR spectroscopy of hydroxyl protons in aqueous solutions of peptides and proteins, J. Biomol. NMR 2, 447-465 (1992).
19. W. Massefski and A. Redfield, Elimination of multiple-step spin diffusion effects on 2D NOE Spectroscopy of Nucleic Acids, J. Magn. Reson. 78, 150-155 (1988).
20. E. T. Olejniczak, R. T. Gampe, and S. W. Fesik, Accounting for spin diffusion in the analysis of 2D NOE data, J. Magn. Reson. 67, 28-41 (1986).
21. C. Zwahlen, S. J. F. Vincent, N. Schwager, and G. Bodenhausen, Isolation of selected exchange processes in NMR, Chem. Eur. J. 2(1), 45-49 (1996).
22. (a) C. Dalvit, New 1D selective NMR experiments in aqueous solutions recorded with pulse field gradients, J. Magn. Reson. A 113, 120 (1995).
23. (b) C. Dalvit, Efficient multiple-solvent suppression for the study of the interactions of organic solvents with biomolecules, J. Biomol. NMR 11, 437-444 (1998).
24. G. Otting, E. Liepinsh, B. Halle, and U. Frey, NMR identification of hydrophobic cavities with low water occupancies in protein structures using small gas molecules, Nat. Struct. Biol. 4(5), 396-404 (1997).
25. C. Dalvit, Homonuclear 1D and 2D NMR experiments for the observation of solvent-solute interactions, J. Magn. Reson. B 112, 282 (1996).
26. C. E. Kundrot and F. M. Richards, Crystal structure of hen egg-white lysozyme at a hydrostatic pressure of 1000 atmospheres, J. Mol. Biol. 193, 157-170 (1987).
27. R. Kodandapani, C. G. Suresh, and M. Vijayan, Crystal structure of low humidity tetragonal lysozyme at 2.1-A resolution. Variability in hydration shell and its structural consequences, J. Biol. Chem. 265, 16,126-16,131 (1990).
28. K. P. Wilson, B. A. Malcolm, and B. W. Matthews, Structural and thermodynamic analysis of compensating mutations within the core of chicken egg white lysozyme, J. Biol. Chem. 267, 10,842-10,849 (1992).
29. 1 H NMR assignments and secondary structure of hen egg white lysozyme in solution, Biochemistry 27, 122-136 (1988).
30. C. Dalvit and U. Hommel, Sensitivity-improved detection of protein hydration and its extension to the assignment of fast-exchanging resonances, J. Magn. Reson. B 109, 334-338 (1995).
31. V. Sklenar, M. Piotto, R. Leppik, and V. Saudek, Gradient-tailored water suppression for HSQC experiments optimized to retain full sensitivity, J. Magn. Reson. A 102, 241-245 (1993).
32. Minor diffusion losses in the spectrum of Fig. 4a are neglected.
33. S. Macura, W. M. Westler, and J. L. Markley, Two-dimensional exchange spectroscopy of proteins, Meth. Enzym. 239, 106-144 (1994).
34. V. P. Denisov, G. Carlstrom, K. Venu, and B. Halle, Kinetics of DNA hydration, J. Mol. Biol. 268, 118-136 (1997).
35. T.-L. Hwang, S. Mori, A. J. Shaka, and P. C. M. van Zijl, Application of phase-modulated CLEAN chemical exchange spectroscopy (CLEANEX-PM) to detect water-protein proton exchange and intermolecular NOEs, J. Am. Chem. Soc. 119, 6203-6204 (1997).