Structural and computational analysis of published neutron diffraction data shows that crystalline vitamin B12 coenzyme contains a strong intramolecular N-H⋯Ph hydrogen bond

Acta Crystallographica Section B: Structural Science

Volumn 54, Issue 1, 1998, Pages 94-96

  Starikov, Evgeni B ^a   Steiner, Thomas ^b  

^a FRITZ HABER INSTITUT DER MAX PLANCK GESELLSCHAFT   (Germany)

^b FREIE UNIVERSITÄT BERLIN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0002439322     PISSN: 01087681     EISSN: None     Source Type: Journal    
DOI: 10.1107/S0108768197010264     Document Type: Article

References (19)

1. Allen, F. H., Davies, J. E., Galloy, J. E., Johnson, J. J., Kennard, O., Macrae, C. F., Mitchell, E. M., Mitchell, G. F., Smith, J. M. & Watson, D. G. (1991). J. Chem. Inf. Comput. Sci. 31, 187.
2. Bakshi, P. K., Linden, A., Vincent, B. R., Roe, S. P., Adhikesavalu, D., Cameron, T. S. & Knop, O. (1994). Can. J. Chem. 72, 1273-1293.
3. Bouquiere, J. P., Finney, J. L., Lehmann, M. S., Lindley, P. F. & Savage, H. F. J. (1993). Acta Cryst. B49, 79-89.
4. Bouquiere, J. P., Finney, J. L. & Savage, H. F. J. (1994). Acta Cryst. B50, 566-578.
5. Frisch, M. J., Trucks, G. W., Schlegel, H. B., Gill, P. M. W., Johnson, B. G., Wong, M. W., Foresman, J. B., Robb, M. A., Head-Gordon, M., Replogle, E. S., Gompertz, R., Andres, J. L., Raghavachari, K., Birkley, J. S., Gonzalez, C., Martin, R. L., Fox, D. J., Defrees, D. J., Stewart, J. J. P. & Pople, J. A. (1993). Gaussian92/DFT. Revision G.3. Gaussian, Inc., Pittsburgh PA.
6. Jeffrey, G. A. & Saenger, W. (1991). Hydrogen Bonding in Biological Structures. Berlin: Springer-Verlag.
7. Lenhert, P. G. (1968). Proc. R. Soc. London Ser. A, 303, 45-84.
8. Levitt, M. & Perutz, M. F. (1988). J. Mol. Biol. 201, 751-754.
9. McDonald, I. K. & Thornton, J. M. (1994). J. Mol. Biol. 238, 777-793.
10. Mitchell, J. B. O., Nandi, C. L., McDonald, I. K., Thornton, J. M. & Price, S. L. (1994). J. Mol. Biol. 239, 315-331.
11. Pagano, T. G., Marzilli, L. G., Flocco, M. M., Tsai, C., Carrell, H. L. & Glusker, J. P. (1991). J. Am. Chem. Soc. 113, 531-542.
12. Parkinson, G., Gunasekera, A., Vojtechovsky, J., Zhang, X., Kunkel, T. A., Berman, H. & Ebright, R. H. (1996). Nature Struct. Biol. 3, 837-841.
13. Savage, H. (1986). Biophys. J. 50, 947-980.
14. Savage, H. F. J., Lindley, P. F., Finney, J. L. & Timmins, P. A. (1987). Acta Cryst. B43, 280-295.
15. Steiner, Th., Mason, S. A. & Tamm, M. (1997). Acta Cryst. B53, 843-848.
16. Steiner, Th. & Saenger, W. (1993). Acta Cryst. D49, 592-593.
17. Steiner, Th., Schreurs, A. M. M., Kanters, J. A. & Kroon, J. (1998). Acta Cryst. D54, 25-31.
18. Steiner, Th., Starikov, E. B. & Tamm, M. (1996). J. Chem. Soc. Perkin Trans. 2, pp. 67-71.
19. Viswamitra, M. A., Radhakrishnan, R., Bandekar, J. & Desiraju, G. R. (1993). J. Am. Chem. Soc. 115, 4868-4869.