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DOI | 10.2210/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_ID | PRD_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: 21850718DOI: 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) |
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