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流感 M2 质子通道在脂质双层中的金刚烷胺结合位点的结构。

Structure of the amantadine binding site of influenza M2 proton channels in lipid bilayers.

机构信息

Department of Chemistry, Iowa State University, Ames, Iowa 50011 2, USA.

出版信息

Nature. 2010 Feb 4;463(7281):689-92. doi: 10.1038/nature08722.

Abstract

The M2 protein of influenza A virus is a membrane-spanning tetrameric proton channel targeted by the antiviral drugs amantadine and rimantadine. Resistance to these drugs has compromised their effectiveness against many influenza strains, including pandemic H1N1. A recent crystal structure of M2(22-46) showed electron densities attributed to a single amantadine in the amino-terminal half of the pore, indicating a physical occlusion mechanism for inhibition. However, a solution NMR structure of M2(18-60) showed four rimantadines bound to the carboxy-terminal lipid-facing surface of the helices, suggesting an allosteric mechanism. Here we show by solid-state NMR spectroscopy that two amantadine-binding sites exist in M2 in phospholipid bilayers. The high-affinity site, occupied by a single amantadine, is located in the N-terminal channel lumen, surrounded by residues mutated in amantadine-resistant viruses. Quantification of the protein-amantadine distances resulted in a 0.3 A-resolution structure of the high-affinity binding site. The second, low-affinity, site was observed on the C-terminal protein surface, but only when the drug reaches high concentrations in the bilayer. The orientation and dynamics of the drug are distinct in the two sites, as shown by (2)H NMR. These results indicate that amantadine physically occludes the M2 channel, thus paving the way for developing new antiviral drugs against influenza viruses. The study demonstrates the ability of solid-state NMR to elucidate small-molecule interactions with membrane proteins and determine high-resolution structures of their complexes.

摘要

甲型流感病毒的 M2 蛋白是一种跨膜四聚质子通道,靶向抗流感药物金刚烷胺和金刚乙胺。这些药物的耐药性降低了它们对许多流感株的有效性,包括大流行的 H1N1 株。最近的 M2(22-46)晶体结构显示,在孔的氨基末端有一个电子密度归因于单个金刚烷胺,表明其抑制机制为物理阻塞。然而,M2(18-60)的溶液 NMR 结构显示,有四个金刚乙胺结合在螺旋的羧基末端面向脂质的表面,表明存在变构机制。在这里,我们通过固态 NMR 光谱表明,M2 在磷脂双层中存在两个金刚烷胺结合位点。高亲和力结合位点由单个金刚烷胺占据,位于 N 端通道腔中,周围是金刚烷胺耐药病毒中突变的残基。对蛋白-金刚烷胺距离的定量分析得到了高亲和力结合位点的 0.3 Å 分辨率结构。第二个低亲和力结合位点位于 C 端蛋白表面,但只有当药物在双层中达到高浓度时才会观察到。(2)H NMR 表明,两个结合位点的药物取向和动态不同。这些结果表明,金刚烷胺物理阻塞了 M2 通道,从而为开发针对流感病毒的新型抗病毒药物铺平了道路。该研究表明了固态 NMR 阐明小分子与膜蛋白相互作用并确定其复合物高分辨率结构的能力。

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