REGULAR ARTICLES
Cell Research (1996)6:93-100
© 1996
SIBS, CAS All rights reserved 1001-0602/96
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.
Keywords : Antigenic determinants, trichosanthin, anti-trichosanthin
immunoglobulin E, molecular modeling. |
