Nakamura H
Nihon Rinsho. 1998 Mar;56(3):795-802.
The antibody combining site is composed of six complementarity determining regions (CDRs), whose typical structures have been classified as "canonical structures" except CDR-H3, depending upon the segment lengths and the positions of specific amino acid residues in the segments. Using the method of structural bioinformatics, we have proposed a novel classification of the CDR-H3 structures, and revealed several remarkable relationships between their sequences and the loop conformations. Based upon the canonical structures and our new rules, structural models of antibodies have been built in order to understand the molecular basis of antigen recognition. Another new computational method of almost exhaustive conformational search is introduced for future applications.
抗体结合位点由六个互补决定区（CDR）组成，除CDR-H3外，根据片段长度和片段中特定氨基酸残基的位置，其典型结构已被归类为“规范结构”。利用结构生物信息学方法，我们提出了一种CDR-H3结构的新分类，并揭示了它们的序列与环构象之间的几个显著关系。基于规范结构和我们的新规则，构建了抗体的结构模型，以了解抗原识别的分子基础。还引入了另一种几乎穷尽构象搜索的新计算方法，以供未来应用。
