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

Nature Structural Biology

Volumn 4, Issue 7, 1997, Pages 523-526

  Montet, Yaël ^a   Amara, Patricia ^a   Volbeda, Anne ^a   Vernede, Xavier ^a   Claude Hatchikian, E ^b   Field, Martin J ^a   Frey, Michel ^a   Fontecilla Camps, Juan C ^a  

^a INSTITUT DE BIOLOGIE STRUCTURALE   (France)

^b CNRS   (France)

Author keywords

[No Author keywords available]

Indexed keywords

HYDROGEN; HYDROGENASE; NICKEL IRON HYDROGENASE; NICKEL-IRON HYDROGENASE; XENON;

BINDING SITE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; DESULFOVIBRIO; ENZYMOLOGY; GAS; LETTER; METABOLISM; PROTEIN CONFORMATION; STRUCTURE ACTIVITY RELATION; X RAY CRYSTALLOGRAPHY;

BINDING SITES; COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; DESULFOVIBRIO; GASES; HYDROGEN; HYDROGENASE; MODELS, MOLECULAR; PROTEIN CONFORMATION; STRUCTURE-ACTIVITY RELATIONSHIP; XENON;

EID: 0031180380     PISSN: 10728368     EISSN: None     Source Type: Journal    
DOI: 10.1038/nsb0797-523     Document Type: Article

References (30)

1. Jameson, G.B., Ibers, J.A., Valentine, J.S., Stiefel. E.I. & George, G.N. in Bloinorganic chemistry (I. Bertini, H. B. Gray, S. J. Lippard, J. 5. Valentine, Eds) 183-191, 267-276, 413-453 (University Science Books, Mill Valley, California; 1994).
2. Volbeda, A.. Charon. M.-H., Piras, C, Hatchilian, E.C., Frey, M. & Fontecilla-Camps, J.C. Nature 373, 580-587(1995).
3. Volbeda, A., Garcin. E., Piras, C, de Ucey, A.L., Fernandez, V.M., Hatchikian, EX., Frey, M. S Fontecilla-Camps, J. C. J. Am. Chem. Soc. 118, 12989-12996(1996).
4. Rousset, M., Dermoun, Z., Hatchikian, E.C. & Belaich, J.-P. Gene94,95-101 (1990).
5. Schoenborn, B.P. Nature 208,760-762 (1965).
6. Tilton Jr, R.F, Kuntz Jr. I.D. & Petsko, G.A. Biochemistry 23,2849-2857 (1984).
7. Vellieux, F.M.D.A.P., Hunt, J. F.. Roy, S. & Read J. J. 4ppJ. Crystallogr., 28,347-51 (1995).
8. Elber. R. & Karplus, M. J. Am. Chem. Soc. 112 , 9161-9175(1990).
9. Wilhelm, E. & Battino. R. Chem. Rev. 73,1-9 (1973).
10. Wolfenden, R. & Radzicka, A. Science 265. 936 (1994).
11. B.W., Matthews, A.G. Morton, & Dahlquist F.W. Science270,1847-1848(1995).
12. Zhang, L & Hermans, J. Proteins: Struct. Funct. Genet 24,433-438(1996).
13. Brünger, A. in Crystallography Computing 4 : Techniques S New Technologies (eds N. W. Isaacs, M. R. Taylor), Clarendon Press. Oxford, 127-140 (1988).
14. Jorgensen, W. L & Ibrahim, M. J. Am. Chem. Soc. 103, 3976-3985(1981).
15. Stowell, M.B.H., Soltis, S.M, Kisker, C, Peters, J.W., Schindelin, H., Rees, D. C, Cascio, D., Beamer, L, Hart, PJ.. Wiener, M.C. & Whitby, G. Appl. Crystallogr. 29, 608-613(1996).
16. Kabsch, W. J. Appl. Crystallogr. 25,795-800 (1993).
17. Collaborative Computational Project Number 4. Acta Crystallogr. DSO. 760-763 (1994).
18. Navaza, J. Acta Crystallogr. A50, 157-163 (1994).
19. Jones. T.A. Meths. Enz. 115, 157-171 (1985).
20. Jones, T.A., Zou, J.-Y., Cowan, S.W. & Kjeldgaard. M. Acta. Cystallogr. A47, 110-119 (1990).
21. McCammon, J.A. & Harvey, S. Dynamics of Proteins & Nucleic Acids (Cambridge University Press, Cambridge; 1987).
22. Case, D.A. & Karplus, M. J. Mol. Biol. 132, 343-368 (1979).
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).
24. Tilton Jr, R.F., Singh, U.C., Kuntz, I.D. & Kollman, P.A. J. Mol.Biol. 199,195-211 (1988).
25. Eiber, R. Curr. Opm. Struct. Biol. 6,232-235 (1996)
26. B.R., Brooks, Bruccoleri, R.E., Olafson, B.D., States, D.J., Swaminanathan, S. & Karplus, M. J. Comp. Chem. 4,187-217(1983).
27. Mouawad L & Perahia, D. J. Mol. Biol.. 258,393-410 (1996).
28. Brunger, A. T. & Karplus, M. Proteins: Struct. Funcf. Genet. 4,148-156(1988).
29. Hunter III, J.E., Taylor 111. D.G. & Strauss, H.L J. Chem. Phys. 97. 50-59 (1992).
30. Ryckaert, J.P., Ciccoti, G. & Berendsen, H.J.C. J. Comput Phys. 23, 327-341 (1977).