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目的:对1株嵌合抗体(antiCD28:ch-2F5)进行3D建模,并与其抗原分子进行对接,验证是否与抗原抗体结合理论相符,并提供一种抗原抗体及其识别的空间结构分析方法。方法:在http://www.ncbi.nlm.nih.gov网站提交序列进行分析,综合运用GenBank、Protein data bank、GENO-3D等数据库比对分析,用Swiss-model同源建模服务器模建,运用GRAMM-X Protein Docking Web Server在线进行对接,结果采用Chimera软件对嵌合抗体的重、轻链、重/轻链复合体、重/轻链与抗原分子复合体进行3D展示并拍照,并标出抗体重轻链、可变区、恒定区、CDR区、框架区,全方位展示抗体的空间结构。结果:运用该方法构建的重/轻链与抗原分子复合体的3D结构与理论上抗原分子、抗体分子结合的位置相符,对所构建的嵌合抗体从生物信息学角度进行了理论论证。结论:所构建的嵌合抗体分子结构符合抗体的常规结构,与抗原分子结合的位置也符合抗原抗体分子理论结合位点,为抗体的3D结构分析及蛋白质的相互作用提供了例证。
OBJECTIVE: To model a chimeric antibody (anti-CD28: ch-2F5) 3D and to match with its antigenic molecules to verify whether it is in line with antigen-antibody binding theory and to provide an antigen-antibody and its identification of spatial structure analysis . METHODS: The sequences were submitted to the website http://www.ncbi.nlm.nih.gov for analysis. The databases were aligned using GenBank, Protein Data Bank and GENO-3D, and modeled with the Swiss-model homology modeling server , Using GRAMM-X Protein Docking Web Server to perform docking online. As a result, Chimera software was used to perform 3D display and photographing of the heavy and light chain, heavy / light chain complex, heavy / light chain and antigen molecular complex of the chimeric antibody The antibody heavy and light chains, variable regions, constant regions, CDR regions and framework regions are shown to show the overall spatial structure of the antibody. Results: The 3D structure of the complex of heavy / light chain and antigen molecules constructed by this method was in accordance with the position of antigen molecule and antibody molecule binding theoretically. The constructed chimeric antibody was theoretically proved from the perspective of bioinformatics. CONCLUSION: The molecular structure of the constructed chimeric antibody conforms to the conventional structure of the antibody, and the position of binding to the antigen molecule is also in line with the theoretical binding site of the antigen-antibody molecule, providing an example for the 3D structural analysis of the antibody and the protein interaction.