高等学校化学研究（英文版）
高等學校化學研究（英文版）
고등학교화학연구（영문판）
CHEMICAL RESEARCH IN CHINESE UNIVERSITIES
2012年
3期
500-502
,共3页
Quantum chemistry%Enzyme catalysis%Reaction mechanism%Glutathione transferase%Glutathione(GSl)activation
Glutathione transferases(GSTs) play an important role in the detoxification of xenobiotic/endobiotic toxic compounds.The a-,π-,and μ-classes of cytosolic GSTs have been studied extensively,while Gtt2 from Saccharomyces cerevisiae,a novel atypical GST,is still poorly understood.In the present study,we investigated the glutathione(GSH) activation mechanism of Gtt2 using the density functional theory(DFT) with the hybrid functional B3LYP.The computational results show that a water molecule could assist a proton transfer between the GSH thiol and the N atom of His133.The energy barrier of proton transfer is 46.0 kJ/mol.The GSH activation mechanism and the characteristics of active site are different from those of classic cytosolic GSTs.
