Volume 6 Issue 2, December 1996: 93-100
ORIGINAL ARTICLES
Predicton of antigenic determinants of trichosanthin by molecular modeling
HE YONG NING ZONG XIANG XIA, YIN WANG YONG YONG JI,MING YEN
Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences, Shanghai 200032, China
Shanghhai Institute of Cell Biology, Chinese Academy of Sciences, Shanghai 200031, China
Correspondence: ZONG XIANG XIA
The antigenic determinants of trichosanthin were predicted by modeling. First, the three-dimensional structure model of the antigen-binding franment of anti-trichosanthin immunoglobulin E was built on the basis of its amino-acid sequence and the known three-dimensional structure of an antibody with similar sequence. Secondly, the preferable antigen-antibody interactions obtained based on the known three-dimensional structure of trichosanthin and of the hypervariable regions of anti-trichosanthin immunoglobulin E. Two regions in the molecular surface of trichosanthin were found to form form extensive interactions with the hypervariable regions of the antibody and have been predicted to be the possible antogenic determinants: one is composed of two polypeptide segments, Ile201-Glu210 and Ile225-Asp229, which are close to each other in the three-dimensional structure; and the other is the segment Lys173-Thr178. The former region seems to be the more reasonable antigenic determinant than the latter one.
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