Molecular Dynamics Simulations of Ground and Transition States for the SN2 Displacement of Cl- from 1,2-Dichloroethane at the Active Site of Xanthobacter autotrophicus Haloalkane Dehalogenase
Author:
Affiliation:
1. Contribution from the Department of Chemistry, University of California, Santa Barbara, California 93106
Publisher
American Chemical Society (ACS)
Subject
Colloid and Surface Chemistry,Biochemistry,General Chemistry,Catalysis
Link
https://pubs.acs.org/doi/pdf/10.1021/ja980162j
Reference37 articles.
1. Bacterial dehalogenases: biochemistry, genetics, and biotechnological applications
2. On the Dehalogenation Mechanism of 4-Chlorobenzoyl CoA by 4-Chlorobenzoyl CoA Dehalogenase: Insights from Study Based on the Nonenzymatic Reaction
3. Transient State Kinetic Analysis of the Chemical Intermediates Formed in the Enzymic Dehalogenation of 4-Chlorobenzoyl Coenzyme A
4. Evidence for electrophilic catalysis in the 4-chlorobenzoyl-CoA dehalogenase reaction: UV, Raman, and 13C-NMR spectral studies of dehalogenase complexes of benzoyl-CoA adducts
5. Exploration of possible mechanisms for 4-chlorobenzoyl CoA dehalogenase: Evidence for an aryl-enzyme intermediate
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