Modelling of Nef Interaction with ABCA1 Revealed Potential Binding Sites For Inhibitor Compounds
Poster (download)
[pdf-embedder url=”https://bgrssb.icgbio.ru/wp-content/uploads/2020/07/508.pdf”]
Anastasia A. Anashkina1, Yaroslav V. Tkachev2, Alexei A. Adzhubei3
1EIMB RAS, Moscow, Russia, nastya@eimb.ru
2EIMB RAS, Moscow, Russia, yat@eimb.ru
3EIMB RAS, Moscow, Russia, alexei.adzhubei@eimb.ru
The effect of HIV-1 Nef protein on the demyelination of central nervous system cells is mediated by its effect on the cholesterol transporter protein ABCA1. To determine the possible interactions of Nef-ABCA1, an expert model of the cytoplasmic fragment ABCA1 was constructed and modelling of the reciprocal binding sites in the Nef and ABCA1 structures was carried out. This made it possible to determine the interface for the interaction of proteins and localize binding sites in them.