Biopolym. Cell. 2005; 21(2):165-173.
Биоорганическая химия
Компьютерное моделирование иммунореактивной конформации иммунодоминантного эпитопа HIV-RF
1Андрианов А. М., 1Соколов Ю. А.
  1. Институт биоорганической химии НАН Беларуси
    ул. Академика В. Ф. Купревича, 5, корп.2, Минск, Республика Беларусь, 220141

Abstract

С помощью предложенного ранее расчетно-теоретического метода построена модель простран­ственной структуры иммунодоминантного эпитопа (ИДЭ) HIV-RF, согласующаяся с данными спектроскопии ЯМР. Установлено, что главный иммуногенный участок вируса образует в водном растворе доминирующую структуру, в которой инверсный γ-изгиб на участке Gly-Pro-Gly преобразуется в нестандартный β-поворот IV (Gly-Arg-Val-Ile). Показано, что лучшая по энергии конформация ИДЭ HIV-RF подобна структуре, обнаруженной в кристалле в комплексе пептидного антигена с Fab-фрагментом антитела 58.2. На основе сравнительного анализа трехмерных структур ИДЭ в вирионах HIV-RF, HIV-Thailand и HIV-MN сделан вывод о том, что исследуемый участок белка gp120 формирует в трех субтипах вируса подобные пространственные формы основной цепи, реализующиеся из разных локальных минимумов входящих в его состав аминокис­лотных остатков.
Keywords: вирус иммунодефицита человека, белок gр120, иммунодоминантный эпитоп, конформационный анализ, спектроскопия ЯМР, трехмерная структура

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