抗单纯疱疹病毒CHA9-3D8单链抗体三维结构的计算机模建和分析

Construction and Analysis of Three dimensional Graphic Model of Single Chain Fv Derived from an Anti HSV Monoclonal Antibody by Computer

将１株分别来自单纯疱疹病毒ＭｃＡｂ（重链）和出血热病毒ＭｃＡｂ（轻链）的杂化单链抗体基因序列，在ＳＧＩ图形工作站上，利用同源蛋白结构预测的方法，建立起了其三维结构模型，以寻找轻、重链空间结构的相互关系，观察抗体的结构及表面静电性和疏水性的变化。结果表明，杂化链抗体的轻、重链位置得当，轻链参与组成了“疏水口袋”的形成，并有约五分之二的“袋口”部分由其围成，Ｌｉｎｋｅｒ链位置贴切，游离于轻、重链之外。轻、重链的３个超变区围绕于疏水口袋附近。这一研究为进一步分析轻、重链在抗体功能中的作用，以及改造抗体并提高抗体活性等方面提供了一种途径。

A three dimensional graphic model of an adulterated ScFv, of which the heavy chain obtained from an anti Herpes simplex virus(HSV) McAb and the light chain from an anti Hemorrhagic fever with renal syndyome virus(HFRSV) McAb, was constructed by using a homologus protein pridecting computer algorithm at SGI graphic computer station. We investigated the structure, static electricity and hydrophobicity of ScFv fragment. Computer graphic modelling indicated that all places of the linker, V L and V H were suitable. The light chain, as well as the heavy chain, was involved in composing the “hydrophobic pocket”, and took the two fifths of the “hydrophobic pocket” mouth.The linker was isolated from V H and V L. CDRs of V L and V H sorrounded “hydrophobic pocket”. This study provides a method for improving antibody affinity, investigating antibody structure and analyzing function of light, as well as heavy chain in antibody activity.