Article
Triple mutated antibody scFv2F3 with high GPx activity: insights from MD, docking, MDFE, and MM-PBSA simulation.
Amino acids - 1 Mar 2013
Luo Quan, Zhang Chunqiu, Miao Lu, Zhang Dongmei, Bai Yushi, Hou Chunxi, Liu Junqiu, Yan Fei, Mu Ying, Luo Guimin
Abstract excerpt
By combining computational design and site-directed mutagenesis, we have engineered a new catalytic ability into the antibody scFv2F3 by installing a catalytic triad (Trp(29)-Sec(52)-Gln(72)). The resulting abzyme, Se-scFv2F3, exhibits a high glutathione peroxidase (GPx) activity, approaching the native enzyme activity. Activity assays and a systematic computational study were performed to investigate the effect...
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