Skip to main content
SpringerLink
Log in

Solution structure of an SRYD-containing sequence (250–257) of the fibronectin-like Leishmania gp63 protein by restrained molecular dynamics

  • Published:
Letters in Peptide Science Aims and scope Submit manuscript

Summary

The IASRYDQL synthetic octapeptide (250–257) of the Leishmania major surface glycoprotein gp63 efficiently inhibits parasite attachment to the macrophage receptors in in vitro experiments, and the SRYD-containing tetrapeptide mimics antigenically and functionally the RGDS sequence of fibronectin. The conformational properties of the octapeptide were investigated in dimethylsulfoxide (DMSO) with the combined use of NMR data (vicinal coupling constants, nuclear Overhauser effects (NOEs) and temperature coefficient values), molecular modeling by energy minimization and molecular dynamics. The structure is characterized by the high occurrence, exceeding 95%, of the Arg-Asp side-chain-side-chain ionic interaction, which plays a key role in the backbone folding through a distorted type-I β-turn involving the Gln256-NH to Arg253-CO hydrogen bond.

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

Access this article

Log in via an institution

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Similar content being viewed by others

References

  1. Ruoslahti, E. and Pierschbacher, M.D., Science, 238 (1987) 491.

    Google Scholar 

  2. Plow, E.F., Srouji, A.H., Meyer, D., Marguerie, G. and Ginsberg, M.H., J. Biol. Chem., 259 (1984) 5388.

    Google Scholar 

  3. Yamada, K.M., Kennedy, D.W., Yamada, S.S., Gralnick, H., Chen, W.T. and Akiyama, S.K., Cancer Res., 50 (1990) 4485.

    Google Scholar 

  4. Eggleston, D.S. and Feldman, S.H., Int. J. Pept. Protein Res., 36 (1990) 161.

    Google Scholar 

  5. Pierschbacher, M.D. and Ruoslahti, E., Nature, 309 (1984) 30.

    Google Scholar 

  6. Johnson, W.C., Pagano, T.G., Basson, C.T., Madri, J.A., Cooley, P. and Armitage, I.M., Biochemistry, 32 (1993) 268.

    Google Scholar 

  7. Reed, J., Hull, W.E., Lieth, C.-W., Kübler, D., Suhai, S. and Kinzel, V., Eur. J. Biochem., 178 (1988) 141.

    Google Scholar 

  8. Mickos, H., Bahr, J. and Lüning, B., Acta Chem. Scand., 44 (1990) 161.

    Google Scholar 

  9. Pierschbacher, M.D. and Ruoslahti, E., J. Biol. Chem., 262 (1987) 17294.

    Google Scholar 

  10. Samanen, J., Ali, F., Romoff, T., Calvo, R., Sorenson, E., Vasko, J., Storer, B., Berry, D., Bennett, D., Strohsacker, M., Stadel, J. and Nichols, A., J. Med. Chem., 34 (1991) 3114.

    Google Scholar 

  11. Bach, A.C., Tang, S.X., Espina, J.R., Stouten, P.F.W., DeGrado, W.F., Fennen, J., Torda, A.E. and Van Gunsteren, W.F., In Kaumaya, P.T.P. and Hodges, R.S. (Eds.) Peptides: Chemistry, Structure and Biology (Proceedings of the 14th American Peptide Symposium), Mayflower Scientific Ltd., Kingswinford, U.K., 1996, pp. 489–490.

    Google Scholar 

  12. Rizvi, F.S., Ouaissi, M.A., Marty, B., Santoro, F. and Capron, A., Eur. J. Immunol., 18 (1988) 473.

    Google Scholar 

  13. Soteriadou, K.P., Remoundos, M.S., Katsikas, M.C., Tzinia, A.K., Tsikaris, V., Sakarellos, C. and Tzartos, S.J., J. Biol. Chem., 267 (1992) 13980.

    Google Scholar 

  14. Tsikaris, V., Cung, M.T., Sakarellos, C., Tzinia, A.K., Soteriadou, K.P. and Sakarellos-Daitsiotis, M., J. Chem. Soc. Perkin Trans. II, (1994) 821.

  15. Wüthrich, K., NMR of Proteins and Nucleic Acids, Wiley, New York, NY, U.S.A., 1986, pp. 91–113.

    Google Scholar 

  16. Dauber-Osguthorpe, P., Roberts, V.A., Osguthorpe, D.J., Wolff, J., Genest, M. and Hagler, A.T., Proteins Struct. Funct. Genet., 4 (1988) 31.

    Google Scholar 

  17. Rao, B.G. and Singh, U.C., J. Am. Chem. Soc., 112 (1990) 3803.

    Google Scholar 

  18. Itoh, S. and Ohtaki, H., Z. Naturforsch., 42A (1987) 858.

    Google Scholar 

  19. Barsukov, I.L. and Lian, L.Y., In Roberts, G.C.K. (Ed.) NMR of Macromolecules, Oxford University Press, Oxford, U.K., 1995, pp. 315–357.

    Google Scholar 

  20. Cung, M.T. and Marraud, M., Biopolymers, 21 (1982) 953.

    Google Scholar 

  21. Cung, M.T., Marraud, M. and Néel, J., Macromolecules, 7 (1974) 606.

    Google Scholar 

  22. Berendsen, H.J.C., Postma, J.P.M., Van Gunsteren, W.F., DiNola, A. and Haak, J.R., J. Chem. Phys., 81 (1984) 3684.

    Google Scholar 

  23. Mierke, D.F. and Kessler, H., Biopolymers, 33 (1993) 1003.

    Google Scholar 

  24. Sheinblatt, M., J. Am. Chem. Soc., 88 (1966) 2123.

    Google Scholar 

  25. Tsikaris, V., Tzovaras, D., Sakarellos-Daitsiotis, M., Sakarellos, C., Orlewski, P., Cung, M.T. and Marraud, M., Biopolymers, 38 (1996) 673.

    Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Laboratory of Macromolecular Physical Chemistry, CNRS-URA 494, ENSIC-INPL, 1 Rue Grandville, BP 451, F-54001, Nancy Cédex, France

    Piotr Orlewski, Michel Marraud & Manh Thong Cung

  2. Department of Chemistry, University of Ioannina, P.O. Box 1186, 45110, Ioannina, Greece

    Vassilios Tsikaris, Maria Sakarellos-Daitsiotis & Constantinos Sakarellos

  3. Department of Biochemistry, Hellenic Pasteur Institute, 127 Vassilissis Sofias Avenue, 11521, Athens, Greece

    Ketty P. Soteriadou

Authors
  1. Piotr Orlewski
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. Vassilios Tsikaris
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. Maria Sakarellos-Daitsiotis
    View author publications

    You can also search for this author in PubMed Google Scholar

  4. Constantinos Sakarellos
    View author publications

    You can also search for this author in PubMed Google Scholar

  5. Ketty P. Soteriadou
    View author publications

    You can also search for this author in PubMed Google Scholar

  6. Michel Marraud
    View author publications

    You can also search for this author in PubMed Google Scholar

  7. Manh Thong Cung
    View author publications

    You can also search for this author in PubMed Google Scholar

Rights and permissions

Reprints and permissions

About this article

Cite this article

Orlewski, P., Tsikaris, V., Sakarellos-Daitsiotis, M. et al. Solution structure of an SRYD-containing sequence (250–257) of the fibronectin-like Leishmania gp63 protein by restrained molecular dynamics. Lett Pept Sci 3, 317–326 (1996). https://doi.org/10.1007/BF00127666

Download citation

  • Received:

  • Accepted:

  • Issue Date:

  • DOI: https://doi.org/10.1007/BF00127666

Keywords

Search

Navigation