The structures of the enzyme-substrate complex and transition state formed in the S(N)2 displacement of Cl- from 1,2-dichloroethane at the active site of Xanthobacter autotrophicus haloalkane dehalogenase

Bioorganic Chemistry

Volumn 26, Issue 3, 1998, Pages 169-174

  Lightstone, F C ^a   Zheng, Y J ^a   Bruice, T C ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

1,2 DICHLOROETHANE; ALKANE DERIVATIVE; BACTERIAL ENZYME; CHLORIDE ION; OXIDOREDUCTASE;

ARTICLE; ENZYME ACTIVE SITE; ENZYME STRUCTURE; ENZYME SUBSTRATE COMPLEX; HYDROGEN BOND; MOLECULAR DYNAMICS; NONHUMAN; PRIORITY JOURNAL; XANTHOBACTER;

BACTERIA (MICROORGANISMS); XANTHOBACTER; XANTHOBACTER AUTOTROPHICUS;

EID: 0032532541     PISSN: 00452068     EISSN: None     Source Type: Journal    
DOI: 10.1006/bioo.1998.1093     Document Type: Article

References (16)

1. K.H.G. Verschueren J. Kingma H.J. Rozeboom K.H. Kalk D.B. Janssen B.W. Dijkstra Biochemistry 32 1993 9031 9037
2. K.C. Westaway Isotopes in Organic Chemistry 1987 Elsevier New York
3. N 1992 Wiley New York
4. K.H.G. Verschueren F. Seljée H.J. Rozeboom K.H. Kalk B.W. Dijkstra Nature 363 1993 693 698
5. S. Fetzner F. Lingens Microbiol. Rev. 58 1994 641 685
6. A.H. Maulitz F.C. Lightstone Y.-J. Zheng T.C. Bruice Proc. Natl. Acad. Sci. USA 94 1997 6591 6595
7. F.C. Lightstone Y.-J. Zheng A.H. Maulitz T.C. Bruice Proc. Natl. Acad. Sci. USA 94 1997 8417 8420
8. W.L. Jorgensen N.A. McDonald M. Selmi P.R. Rablen J. Am. Chem. Soc. 117 1995 11,809 11,810
9. W.D. Cornell P. Cieplak C.I. Bayly I.R. Gould K. M. J. Merz D.M. Ferguson D.C. Spellmeyer T. Fox J.W. Caldwell P.A. Kollman J. Am. Chem. Soc. 117 1995 5179 5197
10. W.L. Jorgensen J. Chandrasekhar J. Madura R.W. Impey M.L. Klein J. Chem. Phys. 79 1983 926 935
11. Pearlman, D. A. Case, D. A. Caldwell, J. W. Ross, W. S. III, T. E. C. Ferguson, D. M. Seibel, G. L. Singh, U. C. Weiner, P. K. Kollman, P. A. 1995, Univ. of California, San Francisco
12. C.M. Breneman K.B. Wiberg J. Comput. Chem. 11 1990 361 373
13. F.C. Lightstone T.C. Bruice J. Am. Chem. Soc. 118 1996 2595 2605
14. F.C. Lightstone T.C. Bruice J. Am. Chem. Soc. 119 1997 9103 9113
15. N.M.M. Nibbering D. Bethell Advances in Physical Organic Chemistry 1988 Academic Press San Diego 1 55
16. A. Warshel J. Åqvist S. Creighton Proc. Natl. Acad. Sci. USA 86 1989 5820 5824