GSH特异的人单链抗体计算机辅助结构研究

Computer Aided Analysis of the Structure of GSH-binding ScFvs

以还原型谷胱甘肽 (GSH)的两种衍物作为半抗原 ,从半人工合成的人单链抗体库中筛选得到了多株特异结合的单链抗体 .从中选择亲合力最强的单链抗体进行了基因的重组和测序 .根据由核苷酸测定结果而推导的氨基酸残基序列 ,用计算机模拟分析了两株单链抗体的空间结构 .结果显示单链抗体以二聚体形式存在 ,与单链抗体蛋白SDS_PAGE电泳结果相一致 .抗原结合部位———重链CDR3区位抗体的表面 ,且形成一个凹腔 。

We have selected some GSH_binding ScFvs from a human antiboby library, using the derivatives of GSH as the haptens. According to the results of gene sequencing, we deduced the amino acid sequence of the ScFv proteins. With the aid of computer mimicking, the structures of the protein were analyzed. The mimic showed that the protein formed dimers and that the CDR3 region, which related to binding antigen, located on the surface of the protein and formed a large pocket. The results indicated that the Serine at the CDR3 region would be modified to Selencysteine.