1FAV

THE STRUCTURE OF AN HIV-1 SPECIFIC CELL ENTRY INHIBITOR IN COMPLEX WITH THE HIV-1 GP41 TRIMERIC CORE

1FAV の概要

• エントリーDOI: 10.2210/pdb1fav/pdb
• 分子名称: HIV-1 ENVELOPE PROTEIN CHIMERA, PROTEIN (TRANSMEMBRANE GLYCOPROTEIN) (2 entities in total)
• 機能のキーワード: hiv-1, gp41, inhibitor, viral protein
• 由来する生物種: Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast); 詳細
• 細胞内の位置: Transmembrane protein gp41: Virion membrane; Single-pass type I membrane protein. Surface protein gp120: Virion membrane; Peripheral membrane protein: P03377 P03377
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 13318.12

構造登録者

Zhou, G.,Ferrer, M.,Chopra, R.,Strassmaier, T.,Weissenhorn, W.,Skehel, J.J.,Oprian, D.,Schreiber, S.L.,Harrison, S.C.,Wiley, D.C. (登録日: 2000-07-13, 公開日: 2000-08-23, 最終更新日: 2024-11-13)

主引用文献

Zhou, G.,Ferrer, M.,Chopra, R.,Kapoor, T.M.,Strassmaier, T.,Weissenhorn, W.,Skehel, J.J.,Oprian, D.,Schreiber, S.L.,Harrison, S.C.,Wiley, D.C.
The structure of an HIV-1 specific cell entry inhibitor in complex with the HIV-1 gp41 trimeric core.
Bioorg.Med.Chem., 8:2219-2227, 2000

PubMed Abstract: The three-dimensional structure of the complex between an HIV-1 cell-entry inhibitor selected from screening a combinatorial library of non-natural building blocks and the central, trimeric, coiled-coil core of HIV-1 gp41 has been determined by X-ray crystallography. The biased combinatorial library was designed to identify ligands binding in nonpolar pockets on the surface of the coiled-coil core of gp41. The crystal structure shows that the non-peptide moiety of the inhibitor binds to the targeted cavity in two different binding modes. This result suggests a strategy for increasing inhibitor potency by use of a second-generation combinatorial library designed to give simultaneous occupancy of both binding sites.

PubMed: 11026535
DOI: 10.1016/S0968-0896(00)00155-3

実験手法

X-RAY DIFFRACTION (3 Å)