Stabilization of the adenosyl radical in coenzyme B12 - A theoretical study

Chemical Physics Letters

Volumn 386, Issue 1-3, 2004, Pages 174-178

  Dölker, Nicole ^a   Maseras, Feliu ^a   Siegbahn, Per E M ^b  

^a UNIVERSITAT AUTÒNOMA DE BARCELONA   (Spain)

^b STOCKHOLM UNIVERSITY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

COBAMAMIDE; HYDROGEN; METHYLMALONYL COENZYME A MUTASE;

ARTICLE; CALCULATION; CHEMICAL BOND; DENSITY FUNCTIONAL THEORY; DIELECTRIC CONSTANT; ELECTRICITY; GAS; HYDROGEN BOND; PROTEIN STABILITY; THEORETICAL STUDY;

EID: 17344380696     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2004.01.048     Document Type: Article

References (29)

1. 12. 1999;Marcel Dekker, New York.
2. Ludwig M.L., Matthews R.G. Annu. Rev. Biochem. 66:1997;269.
3. Warncke K., Schmidt J.C., Ke S.-C. J. Am. Chem. Soc. 121:1999;10522.
4. Chowdhury S., Banerjee R. Biochemistry. 39:2000;7998.
5. Banerjee R. Biochemistry. 40:2001;6191.
6. Finke R.G., Hay B.P. Inorg. Chem. 23:1984;3041.
7. Jensen M.P., Halpern J. J. Am. Chem. Soc. 121:1999;2181.
8. Halpern J., Kim S.-H., Leung T.W. J. Am. Chem. Soc. 106:1984;8317.
9. Hay B.P., Finke R.G. J. Am. Chem. Soc. 108:1986;4820.
10. Garr C.D., Finke R.G. Inorg. Chem. 32:1993;4414.
11. Becke A.D. J. Chem. Phys. 98:1993;5648.
12. Andruniow T., Zgierski M.Z., Kozlowski P.M. J. Am. Chem. Soc. 123:2001;2679.
13. Kozlowski P.M. Curr. Opin. Chem. Biol. 5:2001;736.
14. Dölker N., Maseras F., Lledós A. J. Phys. Chem. B. 105:2001;7564.
15. Dölker N., Maseras F., Lledós A. J. Phys. Chem. B. 107:2003;306.
16. Himo F., Siegbahn P.E.M. Chem. Rev. 103:2003;2421.
17. 12-Proteins. 1998;Wiley-VCH, Weinheim.
18. Marques H.M., Brown K.L. Coord. Chem. Rev. 190-192:1999;127.
19. Banerjee R. Chem. Rev. 103(6):2003;2083.
20. Toraya T. Chem. Rev. 103(6):2003;2095.
21. Rovira C., Kunc K., Hutter J., Parrinello M. Inorg. Chem. 40:2001;11.
22. Dybala-Defratyka A., Paneth P. J. Inorg. Biochem. 86:2001;681.
23. Jensen K.P., Ryde U. J. Mol. Struc. (Theochem). 585:2002;239.
24. Jensen K.P., Ryde U. J. Phys. Chem. A. 38(107):2003;7539.
25. Khoroshun D.V., Warncke K., Ke S.-C., Musaev D.G., Morokuma K. J. Am. Chem. Soc. 125(2):2003;570.
26. Hay P.J., Wadt W.R. J. Chem. Phys. 82:1985;299.
27. JAGUAR 4.0, Schrodinger, Inc., Portland, Oregon, 2000.
28. Jensen K.P., Sauer S.P.A., Liljefors T., Norrby P.-O. Organometallics. 20:2001;550.
29. Mancia F., Evans P.R. Structure. 6:1998;711.