目的：模建两株抗金属螯合四肽单抗２Ｅ３－Ｆ７、１Ａ４－Ｄ１２的可变区与其半抗原分子的三维结构，并对它们之间相互作用的可能模式进行了分析、研究。方法：在ＳＧＩ图形工作站上，利用同源蛋白结构预测的方法模建分子结构，然后根据疏水性、静电性等将半抗原与抗体进行对接。结果：获得了两株抗体和半抗原的分子结构模型，并得到了它们可能的相互作用模式。结论：半抗原与抗体是能够合理结合的，而且这两株抗体具有酶催化活性的可能性。 OBJECTIVE: To construct the three-dimensional structure of the variable region of two anti-metal chelating tetrapeptide monoclonal antibodies 2E3-F7 and 1A4-D12 and their hapten molecules, and to analyze the possible modes of their interaction. Methods: On the SGI graphic workstation, the molecular structure was modeled by the prediction of the homologous protein structure, and the hapten was then docked with the antibody according to the hydrophobicity, electrostatic property and the like. Results: The molecular structural models of two antibodies and haptens were obtained and their possible interaction patterns were obtained. Conclusion: The hapten and antibody are able to bind rationally, and the two antibodies have the possibility of enzymatic activity.