Skip to main content

Hydrogen Bond Scalar Couplings — A New Tool In Biomolecular NMR

  • Chapter

Part of the book series: Biological Magnetic Resonance ((BIMR,volume 20))

Abstract

This chapter gives a summary of the recent findings on electron-mediated scalar couplings across hydrogen bonds. The main emphasis is put on a discussion of the various types and sizes of such couplings which have been detected in biological macromolecules. Various experimental schemes for the detection of H-bond couplings are summarized and possible applications are suggested.

This chapter is an updated version of an article previously published as “Scalar couplings across hydrogen bonds” by S. Grzesiek, F. Cordier, and A.J. Dingley, Methods in Enzymology (2001), 338, 111–133. Reprinted by permission of the publisher.

This is a preview of subscription content, log in via an institution.

Buying options

Chapter
USD   29.95
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
eBook
USD   129.00
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
Softcover Book
USD   169.99
Price excludes VAT (USA)
  • Compact, lightweight edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info
Hardcover Book
USD   169.99
Price excludes VAT (USA)
  • Durable hardcover edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info

Tax calculation will be finalised at checkout

Purchases are for personal use only

Learn about institutional subscriptions

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

References

  • Abragam, A., 1961, The Principles of Nuclear Magnetism, Clarendon Press, Oxford.

    Google Scholar 

  • Altman, L. J., Laungani, D., Gunnarsson, G., Wennerström, H., and Forsen, S., 1978, J. Am. Chem. Soc. 100: 8264–8266.

    CAS  Google Scholar 

  • Arnold, W. D., and Oldfield, E., 2000, J. Am. Chem. Soc. 122: 12835–12841

    CAS  Google Scholar 

  • Asakawa, N., Kuroki, S., Kuroso, H., Ando, I., Shoji, A., and Ozaki, T., 1992, J. Am. Chem. Soc. 114: 3261–3265.

    Article  CAS  Google Scholar 

  • Bagno, A., 2000, Chem. Bur. J. 6: 2925–2930.

    CAS  Google Scholar 

  • Baker, E. N., and Hubbard, R. E., 1984, Prog. Biophys. Molec. Biol. 44: 97–179.

    Article  CAS  Google Scholar 

  • Barfield, M., Dingley, A. J., Feigon, J., and Grzesiek, S., 2001, J. Am. Chem. Soc. 123:4014–4022.

    Article  CAS  PubMed  Google Scholar 

  • Bax, A., Vuister, G. W., Grzesiek, S., Delaglio, F., Wang, A. C., Tschudin, R., and Zhu, G., 1994, Methods Enzymol. 239: 79–105.

    CAS  PubMed  Google Scholar 

  • Becker, E. D., (1996), Hydrogen bonding. In Encyclopedia of Nuclear Magnetic Resonance (Grant, D. M., and Harris, R. K., eds.), Vol. 4, pp. 2409–2415. John Wiley, New York.

    Google Scholar 

  • Benedict, H., Shenderovich, I. G., Malkina, O. L., Malkin, V. G., Denisov, G. S., Golubev, N. S., and Limbach, H.-H., 2000, J. Am. Chem. Soc. 122: 1979–1988.

    Article  CAS  Google Scholar 

  • Blake, P. R., Lee, B., Summers, M. F., Adams, M. W., Park, J. B., Zhou, Z. H., and Bax, A., 1992a, J. Biomol. NMR. 2: 527–533.

    Article  CAS  PubMed  Google Scholar 

  • Blake, P. R., Park, J.-B., Adams, M. W., and Summers, M. F., 1992b, J. Am. Chem. Soc. 114: 4931–4933.

    Article  CAS  Google Scholar 

  • Bowers, P. and Klevitt, R., 2000, J. Am. Chem. Soc. 122: 1030–1033.

    Article  CAS  Google Scholar 

  • Boyd, J., Mal, T. K., Soffe, N., and Campbell, I. D., 1997, J. Magn. Reson. 124: 61–71.

    Article  CAS  PubMed  Google Scholar 

  • Case, D. A., 2000, Cutr. Opinion Struct. Biol. 10: 197–203.

    CAS  Google Scholar 

  • Collin, D., van Heijenoort, C., Boiziau, C., J.-J., T. and Guittet, E., 2000, Nucleic Acids Res. 28: 3386–3391.

    Article  CAS  PubMed  Google Scholar 

  • Cordier, F., and Grzesiek, S., 1999, J. Am. Chem. Soc. 121: 1601–1602.

    Article  CAS  Google Scholar 

  • Cordier, F., Rogowski, M., Grzesiek, S., and Bax, A., 1999, J. Magn. Reson. 140: 510–512.

    Article  CAS  PubMed  Google Scholar 

  • Cordier, F., Wang, C., Grzesiek, S. and Nicholson, L. K., 2000, J. Mol. Biol. 304: 497–505.

    Article  CAS  PubMed  Google Scholar 

  • Cornilescu, G., Hu, J.-S., and Bax, A., 1999a, J. Am. Chem. Soc. 121: 2949–2950.

    CAS  Google Scholar 

  • Cornilescu, G., Ramirez, B. E., Frank, M. K., Clore, G. M., Gronenborn, A. M., and Bax, A., 1999b, J. Am. Chem. Soc. 121: 6275–6279.

    CAS  Google Scholar 

  • Crabtree, R., Siegbahn, P., Eisenstein, O., Rheingold, A., and Koetzle, T., 1996, Acc. Chem. Res. 29: 348–354.

    Article  CAS  Google Scholar 

  • Dannenberg, J. J., Haskamp, L., and Masunov, A., 1999, J. Phys. Chem. A 103: 7083–7086.

    Article  CAS  Google Scholar 

  • Del Bene, J. E., 2000, J. Am. Chem. Soc. 122: 3560–3561.

    Google Scholar 

  • Del Bene, J. E., and Bartlett, R. J., 2000, J. Am. Chem. Soc. 122: 10480–10481.

    Google Scholar 

  • Del Bene, J. E., and Jordan, M. J. T., 2000, J. Am. Chem. Soc. 122: 4794–4797.

    Google Scholar 

  • Del Bene, J. E., Perera, S. A., Bartlett, R. J., Alkorta, I., and Elguero, J., 2000, J. Phys. Chem. A 104: 7165–7166.

    Google Scholar 

  • Delaglio, F., Grzesiek, S., Vuister, G. W., Zhu, G., Pfeifer, J. and Bax, A., 1995, J. Biomol. NMR. 6: 277–293.

    Article  CAS  PubMed  Google Scholar 

  • Dingley, A., and Grzesiek, S., 1998, J. Am. Chem. Soc. 120: 8293–8297.

    Article  CAS  Google Scholar 

  • Dingley, A., Masse, J., Feigon, F., and Grzesiek, S., 2000, J. Biomol. NMR. 16:279–289.

    Article  CAS  PubMed  Google Scholar 

  • Dingley, A. J., Masse, J. E., Peterson, R. D., Barfield, M., Feigon, J., and Grzesiek, S., 1999, J. Am. Chem. Soc. 121: 6019–6027.

    Article  CAS  Google Scholar 

  • Dunger, A., Limbach, H.-H., and Weisz, K., 2000, J. Am. Chem. Soc. 122: 10109–10114.

    Article  CAS  Google Scholar 

  • Fersht, A., 1985, Enzyme Structure and Mechanism. Second Edition edit, W. H. Freeman, New York.

    Google Scholar 

  • Ghanty, T. K., Staroverov, V. N., Koren, P. R., and Davidson, E. R., 2000, J. Am. Chem. Soc. 122: 1210–1214.

    Article  CAS  Google Scholar 

  • Golubev, N. S., Shenderovich, I. G., Smirnov, S. N., Denisov, G. S., and Limbach, H.-H., 1999, Chem. Eur. J. 5: 492–497.

    Article  CAS  Google Scholar 

  • Grzesiek, S., and Bax, A., 1993, J. Am. Chem. Soc. 115: 12593–12594.

    CAS  Google Scholar 

  • Gunnarsson, G., Wennerström, H., Ega, W., and Forsen, S., 1976, Chem. Phys. Lett. 38: 96–99.

    Article  CAS  Google Scholar 

  • Hennig, M., and Geierstanger, B., 1999, J. Am. Chem. Soc. 121: 5123–5126.

    Article  CAS  Google Scholar 

  • Hennig, M., and Williamson, J., 2000, Nucleic Acids Res. 28: 1585–1593.

    Article  CAS  PubMed  Google Scholar 

  • Hu, J., Facelli, J., Alderman, D., Pugmire, R., and Grant, D., 1998, J. Am. Chem. Soc. 120: 9863–9869.

    CAS  Google Scholar 

  • Huggins, M., 1919, Thesis, University of California.

    Google Scholar 

  • Hvidt, A., and Nielsen, S., 1966, Adv. Prot. Chem. 21: 287–385.

    CAS  Google Scholar 

  • Ippel, J. H., Wijmenga, S. S., de Jong, R., Heus, H. A., Hilbers, C. W., de Vroom, E., van der Marcel, G. A. and van Boom, J. H., 1996, Magn. Reson. Chem. 34: S156–S176.

    Article  CAS  Google Scholar 

  • Jaravine, V. A., Alexandrescu, A. T., and Grzesiek, S., 2001, Protein Sci. 10: 943–50.

    Article  CAS  PubMed  Google Scholar 

  • Jeffrey, G. A., and Saenger, W., 1991, Hydrogen Bonding in Biological Structures, Springer, New York.

    Google Scholar 

  • Juranic, N., Ilich, P. K., and Macura, S., 1995, J. Am. Chem. Soc. 117: 405–10.

    Article  CAS  Google Scholar 

  • Juranic, N., Likic, V. A., Prendergast, F. G., and Macura, S., 1996, J. Am. Chem. Soc. 118: 7859–7860.

    Article  CAS  Google Scholar 

  • Kainosho, M. and Nakamura, A., 1969, Tetrahedron 25: 4071–4081.

    Article  CAS  Google Scholar 

  • Kettani, A., Basu, G., Gorin, A., Majumdar, A., Skripkin, E., and Patel, D. J., 2000a, J. Mol. Biol. 301: 129–146.

    Article  CAS  PubMed  Google Scholar 

  • Kettani, A., Gorin, A., Majumdar, A., Hermann, T., Skripkin, E., Zhao, H., Jones, R., and Patel, D. J., 2000b, J. Mol. Biol. 297: 627–644.

    Article  CAS  PubMed  Google Scholar 

  • Kim, C.-H., and Tinoco, I., 2000, Proc. Nat’l. Acad. Sci. USA. 97: 9396–9401.

    CAS  Google Scholar 

  • Kojima, C., Ono, A., and Kainosho, M., 2000, J. Biomol. NMR. 18: 269–77.

    Article  CAS  PubMed  Google Scholar 

  • Kontaxis, G., Clore, G. M. and Bax, A., 2000, J. Magn. Reson. 143: 184–196.

    Article  CAS  PubMed  Google Scholar 

  • Kuntz, I. D., Kosen, P. A., and Craig, E. C., 1991, J. Am. Chem. Soc. 113: 1406–1408.

    Article  CAS  Google Scholar 

  • Kwon, O., and Danishefsky, S., 1998, J. Am. Chem. Soc. 120: 1588–1599.

    Article  CAS  Google Scholar 

  • Latimer, W. M., and Rodebush, W. H., 1920, J. Am. Chem. Soc. 42: 1419–1433.

    Article  CAS  Google Scholar 

  • Li, H., Yamada, H., Akasaka, K., and Gronenborn, A. M., 2000, J. Biomol. NMR 18: 207–16.

    Article  CAS  PubMed  Google Scholar 

  • Liu, A., Hu, W., Qamar, S., and Majumdar, A., 2000a, J. Biomol. NMR. 17: 55–61.

    CAS  PubMed  Google Scholar 

  • Liu, A., Majumdar, A., Hu, W., Kettani, A., Skripkin, E., and Patel, D. J., 2000b, J. Am. Chem. Soc. 122: 3206–3210.

    CAS  Google Scholar 

  • Liu, A., Majumdar, A., Jiang, F., Chernichenko, N., Skripin, E., and Patel, D., 2000c, J. Am. Chem. Soc. 122:11226–11227.

    CAS  Google Scholar 

  • LiWang, A. C., and Bax, A., 1996, J. Am. Chem. Soc. 118: 12864–12865.

    Article  CAS  Google Scholar 

  • LiWang, A. C., and Bax, A., 1997, J. Magn. Reson. 127: 54–64.

    Article  CAS  PubMed  Google Scholar 

  • Loh, S., and Markley, J., 1994, Biochemistry 33: 1029–1036.

    Article  CAS  PubMed  Google Scholar 

  • Löhr, F., Mayhew, S. G., and Rüterjans, H., 2000, J. Am. Chem. Soc. 122: 9289–9295.

    Google Scholar 

  • Luy, B., and Marino, J., 2000, J. Am. Chem. Soc. 122: 8095–8096.

    Article  CAS  Google Scholar 

  • Majumdar, A., Kettani, A., and Skripkin, E., 1999a, J. Biomol. NMR 14: 67–70.

    Article  CAS  PubMed  Google Scholar 

  • Majumdar, A., Kettani, A., Skripkin, E., and Patel, D. J., 1999b, J. Biomol. NMR 15: 207–11.

    Article  CAS  PubMed  Google Scholar 

  • Markowski, V., Sullivan, G. R., and Roberts, J. D., 1977, J. Am. Chem. Soc. 99: 714–718.

    Article  CAS  PubMed  Google Scholar 

  • McDermott, A., and Ridenour, C. I., (1996), In Encyclopedia of Nuclear Magnetic Resonance (Grant, D. M. and Harris, R. K., eds.), pp. 3820–3825.

    Google Scholar 

  • Meissner, A., and Sørensen, O. W., 2000a, J. Magn. Reson. 143: 431–434.

    CAS  PubMed  Google Scholar 

  • Meissner, A., and Sørensen, O. W., 2000b, J. Magn. Reson. 143: 387–390.

    CAS  PubMed  Google Scholar 

  • Mishima, M., Hatanaka, M., Yokoyama, S., Ikegami, T., Wälchli, M., Ito, Y. and Shirakawa, M., 2000, J. Am. Chem. Soc. 122: 5883–5884.

    Article  CAS  Google Scholar 

  • Niimura, N., 1999, Curr. Opin. Struct. Biol. 9: 602–8.

    Article  CAS  PubMed  Google Scholar 

  • Pauling, L., 1960, The Nature of the Chemical Bond, Cornell University Press.

    Google Scholar 

  • Pecul, M., Leszczynski, J., and Sadlej, J., 2000, J. Phys. Chem. A 104: 8105–8113.

    Article  CAS  Google Scholar 

  • Perera, S., and Bartlett, R., 2000, J. Am. Chem. Soc. 122: 1231–1232.

    Article  CAS  Google Scholar 

  • Pervushin, K., Fernandez, C., Riek, R., Ono, A., Kainosho, M., and Wuthrich, K., 2000, J. Biomol. NMR. 16: 39–46.

    Article  CAS  PubMed  Google Scholar 

  • Pervushin, K., Ono, A., Fernandez, C., Szyperski, T., Kainosho, M., and Wuethrich, K., 1998, Proc. Natl. Acad. Sci U.S.A. 95: 14147–14151.

    Article  CAS  PubMed  Google Scholar 

  • Pervushin, K., Riek, R., Wider, G. and Wüthrich, K., 1997, Proc. Natl. Acad Sci U.S.A. 94: 12366–12371.

    Article  CAS  PubMed  Google Scholar 

  • Petrakis, L., and Sederholm, C., 1961, J. Chem. Phys. 35: 1243–1248.

    CAS  Google Scholar 

  • Piotto, M., Saudek, V., and Sklenar, V., 1992, J. Biomol. NMR 2: 661–665.

    Article  CAS  PubMed  Google Scholar 

  • Rüdisser, S., and Tinoco, I., 2000, J. Mol. Biol. 295: 1211–1223.

    Article  PubMed  Google Scholar 

  • Salzmann, M., Pervushin, K., Wider, G., Senn, H., and Wuthrich, K., 1998, Proc. Natl. Acad. Sci. USA. 95: 13585–90.

    Article  CAS  PubMed  Google Scholar 

  • Scheurer, C., and Brüschweiler, R., 1999, J. Am. Chem. Soc. 121: 8661–8662.

    CAS  Google Scholar 

  • Shenderovich, I. G., Smirnov, S. N., Denisov, G. S., Gindin, V. A., Golubev, N. S., Dunger, A., Reibke, R., Kirpekar, S., Malkina, O. L., and Limbach, H.-H., 1998, Ber. Bunsenges. Phys. Chem. 102: 422–428.

    CAS  Google Scholar 

  • Shoup, R. R., Miles, H. T., and Becker, E. D., 1966, Biochem. Biophys. Res. Commun. 23: 194–201.

    Article  CAS  PubMed  Google Scholar 

  • Takahashi, A., Kuroki, S., Ando, I., Ozaki, T., and Shoji, A., 1998, J. Mol. Struct. 442: 195–199.

    Article  CAS  Google Scholar 

  • Tessari, M., Vis, H., Boelens, R., Kaptein, R., and Vuister, G. W., 1997, J. Am. Chem. Soc. 119: 8985–8990.

    Article  CAS  Google Scholar 

  • Tjandra, N., and Bax, A., 1997, J. Am. Chem. Soc. 119: 8076–8082.

    CAS  Google Scholar 

  • Vuister, G., Tessari, M., Karimi-Nejad, Y., and Whitehead, B., (1998), Modern Techniques in Protein NMR. In Biological Magnetic Resonance (Krishna, N. R., and Berliner, L. J, eds.), Vol. 16, pp. 195–257. Kluwer Academic.

    Google Scholar 

  • Wagner, G., 1983, Q. Rev. Biophys. 16: 1–57.

    CAS  PubMed  Google Scholar 

  • Wagner, G., Pardi, A. and Wuthrich, K., 1983, J. Am. Chem. Soc. 105: 5948–9.

    Article  CAS  Google Scholar 

  • Wang, Y. X., Jacob, J., Cordier, F., Wingfield, P., Stahl, S. J., Lee-Huang, S., Torchia, D., Grzesiek, S., and Bax, A., 1999, J. Biomol. NMR 14: 181–184.

    Article  CAS  PubMed  Google Scholar 

  • Wishart, D. S., Sykes, B. D., and Richards, F. M., 1991, J. Mol. Biol. 222: 311–333.

    Article  CAS  PubMed  Google Scholar 

  • Wohnert, J., Dingley, A. J., Stoldt, M., Görlach, M., Grzesiek, S., and Brown, L. R., 1999, Nucleic Acids Res. 27: 3104–10.

    Article  CAS  PubMed  Google Scholar 

  • Yan, X., Kong, X., Xia, Y., Sze, K. and Zhu, G., 2000, J. Magn. Reson. 147: 357–360.

    Article  CAS  PubMed  Google Scholar 

  • Zhou, N. E., Zhu, B.-Y., Sykes, B. D., and Hodges, R. S., 1992, J. Am. Chem. Soc. 114: 4320–4326.

    CAS  Google Scholar 

Download references

Author information

Authors and Affiliations

Authors

Editor information

Editors and Affiliations

Rights and permissions

Reprints and permissions

Copyright information

© 2002 Kluwer Academic Publishers

About this chapter

Cite this chapter

Grzesiek, S., Cordier, F., Dingley, A.J. (2002). Hydrogen Bond Scalar Couplings — A New Tool In Biomolecular NMR. In: Krishna, N.R., Berliner, L.J. (eds) Protein NMR for the Millennium. Biological Magnetic Resonance, vol 20. Springer, Boston, MA. https://doi.org/10.1007/0-306-47936-2_9

Download citation

  • DOI: https://doi.org/10.1007/0-306-47936-2_9

  • Publisher Name: Springer, Boston, MA

  • Print ISBN: 978-0-306-47448-4

  • Online ISBN: 978-0-306-47936-6

  • eBook Packages: Springer Book Archive

Publish with us

Policies and ethics