Xu Dingguo, Guo Hua, Gao Jiali, Cui Qiang
Department of Chemistry, University of New Mexico, Albuquerque, NM 87131, USA.
Chem Commun (Camb). 2004 Apr 7(7):892-3. doi: 10.1039/b401159g. Epub 2004 Mar 5.
Calculated using a QM/MM method, the free energy profile for the conversion of 4-chlorobenzoate to 4-hydroxybenzoate catalyzed by 4-chlorobenzoyl-CoA dehalogenase indicates the existence of a stable Meisenheimer complex.