A model study of the enzyme-catalyzed cytosine methylation using ab initio quantum mechanical and density functional theory calculations: pK(a) of the cytosine N3 in the intermediates and transition states of the reaction

Journal of the American Chemical Society

Volumn 120, Issue 49, 1998, Pages 12895-12902

  Peräkylä, Mikael ^a  

^a UNIVERSITY OF EASTERN FINLAND   (Finland)

Author keywords

[No Author keywords available]

Indexed keywords

CYSTEINE; CYTOSINE; CYTOSINE DERIVATIVE; DNA (CYTOSINE 5) METHYLTRANSFERASE; ENZYME; NITROGEN ACID DERIVATIVE; SULFONIUM DERIVATIVE;

ARTICLE; CALCULATION; CATALYSIS; CHEMICAL REACTION; ENERGY; METHYLATION; MODEL; PROTON TRANSPORT; QUANTUM MECHANICS; THEORY;

EID: 0032539232     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja981405a     Document Type: Article

References (10)

1. Adams, R. L. P. Biochem. J. 1990, 265, 309-320.
2. Smith, S. S.; Kaplan, B. E.; Sowers, L. C.; Newman, E. M. Proc. Natl. Acad. Sci. U.S.A. 1992, 89, 4744-4748.
3. Chen, L.; MacMillan, A. M.; Chang, W.; Ezaz-Nikpay, K.; Lane, W. S.; Verdine, G. L. Biochemistry 1991, 30, 11018-11025.
4. Ho, D. K.; Wu, J. C.; Santi, D. V.; Floss, H. G. Arch. Biochem. Biophys. 1991, 284, 264-269.
5. Wu, J. C.; Santi, D. V. J. Biol. Chem. 1987, 262, 4778-4786.
6. O'Gara, M.; Klimasauskas, S.; Roberts, R. J.; Cheng, X. J. Mol. Biol. 1996, 261, 634-645.
7. Reinisch, K. M.; Chen, L.; Verdine, G. L.; Lipscomb, W. N. Cell 1995, 82, 143-153.
8. Chen, X.; Kumar, S.; Posfai, J.; Pflugrath, J. W.; Roberts, R. J. Cell 1993, 74, 299-307.
9. Klimasauskas, S.; Kumar, S.; Roberts, R. J.; Cheng, X. Cell 1994, 76, 357-369.
10. Verdine, G. L. Cell 1994, 76, 197-200.