Gas access to the active site of Ni-Fe hydrogenases probed by X-ray crystallography and molecular dynamics (original) (raw)

References

1. Jameson, G.B., Ibers, J.A., Valentine, J.S., Stiefel, E.I. & George, G.N. in Bioinorganic chemistry (I. Bertini, H. B. Gray, S. J. Lippard, J. S. Valentine, Eds) 183–191, 267–276, 413–453 (University Science Books, Mill Valley, California; 1994).
   Google Scholar
2. Volbeda, A., Charon, M.-H., Piras, C., Hatchilian, E.C., Frey, M. & Fontecilla-Camps, J.C. Nature 373, 580–587 (1995).
   Article CAS Google Scholar
3. Volbeda, A., Garcin, E., Piras, C., de Lacey, A. L., Fernandez, V.M., Hatchikian, E.C., Frey, M. & Fontecilla-Camps, J. C. J. Am. Chem. Soc. 118, 12989–12996 (1996).
   Article CAS Google Scholar
4. Rousset, M., Dermoun, Z., Hatchikian, E.C. & Belaich, J.-P. Gene 94, 95–101 (1990).
   Article CAS Google Scholar
5. Schoenborn, B.P. Nature 208, 760–762 (1965).
   Article CAS Google Scholar
6. Tilton Jr, R.F., Kuntz Jr, I.D. & Petsko, G.A. Biochemistry 23, 2849–2857 (1984).
   Article CAS Google Scholar
7. Vellieux, F.M.D.A.P., Hunt, J.F., Roy, S. & Read, J. J. Appl. Crystallogr., 28, 347–51 (1995).
   Article CAS Google Scholar
8. Elber, R. & Karplus, M. J. Am. Chem. Soc. 112, 9161–9175 (1990).
   Article CAS Google Scholar
9. Wilhelm, E. & Battino, R. Chem. Rev. 73, 1–9 (1973).
   Article CAS Google Scholar
10. Wolfenden, R. & Radzicka, A. Science 265, 936 (1994).
    Article CAS Google Scholar
11. B.W., Matthews, A.G. Morton, & Dahlquist, F.W. Science 270, 1847–1848 (1995).
    Article Google Scholar
12. Zhang, L. & Hermans, J. Proteins: Struct. Fund. Genet. 24, 433–438 (1996).
    Article CAS Google Scholar
13. Brünger, A. in Crystallographic Computing 4 : Techniques & New Technologies (eds N. W. Isaacs, M. R. Taylor), Clarendon Press, Oxford, 127–140 (1988).
    Google Scholar
14. Jorgensen, W.L. & Ibrahim, M. J. Am. Chem. Soc. 103, 3976–3985 (1981).
    Article CAS Google Scholar
15. Stowell, M.B.H., Soltis, S.M., Kisker, C., Peters, J.W., Schindelin, H., Rees, D.C., Cascio, D., Beamer, L., Hart, P.J., Wiener, M.C. & Whitby, G. Appl. Crystallogr. 29, 608–613 (1996).
    Article CAS Google Scholar
16. Kabsch, W. J. Appl. Crystallogr. 26, 795–800 (1993).
    Article CAS Google Scholar
17. Collaborative Computational Project Number 4. Acta Crystallogr. D50, 760–763 (1994).
18. Navaza, J. Acta Crystallogr. A50, 157–163 (1994).
    Article CAS Google Scholar
19. Jones, T.A. Meths. Enz. 115, 157–171 (1985).
    CAS Google Scholar
20. Jones, T.A., Zou, J.-Y., Cowan, S.W. & Kjeldgaard, M. Acta. Crystallogr. A47, 110–119 (1990).
    Google Scholar
21. McCammon, J.A. & Harvey, S. Dynamics of Proteins & Nucleic Acids (Cambridge University Press, Cambridge; 1987).
    Book Google Scholar
22. Case, D.A. & Karplus, M. J. Mol. Biol. 132, 343–368 (1979).
    Article CAS Google Scholar
23. Tilton Jr, R.F., Singh, U.C., Weiner, S.J., Connolly, M.L., Kuntz Jr, I.D., Kollman, P.A., Max, N. & Case, D.A. J. Mol. Biol. 192, 443–456 (1986).
    Article CAS Google Scholar
24. Tilton Jr, R.F., Singh, U.C., Kuntz, I.D. & Kollman, P.A. J. Mol. Biol. 199, 195–211 (1988).
    Article CAS Google Scholar
25. Elber, R. Curr. Opin. Struct. Biol. 6, 232–235 (1996)
    Article CAS Google Scholar
26. B.R., Brooks, Bruccoleri, R.E., Olafson, B.D., States, D.J., Swaminanathan, S. & Karplus, M. J. Comp. Chem. 4, 187–217 (1983).
    Article Google Scholar
27. Mouawad, L. & Perahia, D. J. Mol. Biol., 258, 393–410 (1996).
    Article CAS Google Scholar
28. Brünger, A.T. & Karplus, M. Proteins: Struct. Funct. Genet. 4, 148–156 (1988).
    Article Google Scholar
29. Hunter III, J. E., Taylor III, D.G. & Strauss, H.L. J. Chem. Phys. 97, 50–59 (1992).
    Article Google Scholar
30. Ryckaert, J.P., Ciccoti, G. & Berendsen, H.J.C. J. Comput. Phys. 23, 327–341 (1977).
    Article CAS Google Scholar

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