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3AV9

Crystal structures of novel allosteric peptide inhibitors of HIV integrase in the LEDGF binding site

3AV9 の概要
エントリーDOI10.2210/pdb3av9/pdb
関連するPDBエントリー3AVA 3AVB 3AVC 3AVF 3AVG 3AVH 3AVI 3AVJ 3AVK 3AVL 3AVM 3AVN
関連するBIRD辞書のPRD_IDPRD_000817
分子名称Integrase, LEDGF peptide, SULFATE ION, ... (6 entities in total)
機能のキーワードprotein-protein interactions, hiv, recombination-inhibitor complex, recombination/inhibitor
由来する生物種Human immunodeficiency virus type 1 (HIV-1)
詳細
細胞内の位置Matrix protein p17: Virion (Potential). Capsid protein p24: Virion (Potential). Nucleocapsid protein p7: Virion (Potential). Reverse transcriptase/ribonuclease H: Virion (Potential). Integrase: Virion (Potential): P12497
タンパク質・核酸の鎖数4
化学式量合計42920.85
構造登録者
Peat, T.S.,Deadman, J.J.,Newman, J.,Rhodes, D.I. (登録日: 2011-03-02, 公開日: 2012-01-18, 最終更新日: 2024-10-30)
主引用文献Rhodes, D.I.,Peat, T.S.,Vandegraaff, N.,Jeevarajah, D.,Newman, J.,Martyn, J.,Coates, J.A.,Ede, N.J.,Rea, P.,Deadman, J.J.
Crystal structures of novel allosteric peptide inhibitors of HIV integrase identify new interactions at the LEDGF binding site.
Chembiochem, 12:2311-2315, 2011
Cited by
PubMed Abstract: An optimised method of solution cyclisation gave us access to a series of peptides including SLKIDNLD (2). We investigated the crystallographic complexes of the HIV integrase (HIV-IN) catalytic core domain with 13 of the peptides and identified multiple interactions at the binding site, including hydrogen bonds with residues Thr125 and Gln95, that have not previously been described as being accessible within the binding site. We show that the peptides inhibit the interaction of lens epithelium-derived growth factor (LEDGF) with HIV-IN in a proximity AlphaScreen assay and in an assay for the LEDGF enhancement of HIV-IN strand transfer. The interactions identified represent a potential framework for the development of new HIV-IN inhibitors.
PubMed: 21850718
DOI: 10.1002/cbic.201100350
主引用文献が同じPDBエントリー
実験手法
X-RAY DIFFRACTION (1.7 Å)
構造検証レポート
Validation report summary of 3av9
検証レポート(詳細版)ダウンロードをダウンロード

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件を2024-11-06に公開中

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