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PREDICTING STRUCTURE AND DYNAMICS OF LOOSELY-ORDERED PROTEIN COMPLEXES: INFLUENZA HEMAGGLUTININ FUSION PEPTIDE

机译：松散有序蛋白复合物的预测结构与动态：流感血凝素融合肽

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Transient and low-affinity protein complexes pose a challenge to existing experimental methods and traditional computational techniques for structural determination. One example of such a disordered complex is that formed by trimers of influenza virus fusion peptide inserted into a host cell membrane. This fusion peptide is responsible for mediating viral infection, and spectroscopic data suggest that the peptide forms loose multimeric associations that are important for viral infectivity. We have developed an ensemble simulation technique that harnesses > 1000 molecular dynamics trajectories to build a structural model for the arrangement of fusion peptide trimers. We predict a trimer structure in which the fusion peptides are packed into proximity while maintaining their monomeric structure. Our model helps to explain the effects of several mutations to the fusion peptide that destroy viral infectivity but do not measurably alter peptide monomer structure. This approach also serves as a general model for addressing the challenging problem of higher-order protein organization in cell membranes.

机译：瞬态和低亲和力蛋白复合物对现有的实验方法和传统计算技术构成挑战，用于结构测定。这种无序复合物的一个例子是由插入宿主细胞膜中的流感病毒融合肽的三聚体形成。该融合肽负责介导病毒感染，并且光谱数据表明肽形成宽松的多聚体关联，这对病毒感染性很重要。我们开发了一种合并仿真技术，其利用> 1000分子动力学轨迹来构建融合肽三聚体布置的结构模型。我们预测了一种三聚体结构，其中融合肽在保持单体结构的同时填充到邻近。我们的模型有助于向融合肽解释几种突变对破坏病毒感染性但不可测量的肽单体结构的影响。这种方法还用于解决细胞膜中高阶蛋白质组织挑战性问题的一般模型。

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《Pacific Symposium on Biocomputing》|2007年||共11页
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PETER M. KASSON; VIJAY S. PANDE;
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1. Hydrogen-Deuterium Exchange Supports Independent Membrane-Interfacial Fusion Peptide and Transmembrane Domains in Subunit 2 of Influenza Virus Hemagglutinin Protein, a Structured and Aqueous-Protected Connection between the Fusion Peptide and Soluble Ectodomain, and the Importance of Membrane Apposition by the Trimer-of-Hairpins Structure [J] . Ranaweera Ahinsa, Ratnayake Punsisi U., Ekanayaka E. A. Prabodha, Biochemistry . 2019,第19期

机译：氢 - 氘交换支持流感病毒血凝素蛋白的亚基2中的独立膜 - 界面融合肽和跨膜结构域，融合肽和可溶性胚源之间的结构化和水性保护的连接，以及膜与三角体的重要性 - 发夹结构
2. Full-length trimeric influenza virus hemagglutinin II membrane fusion protein and shorter constructs lacking the fusion peptide or transmembrane domain: Hyperthermostability of the full-length protein and the soluble ectodomain and fusion peptide make significant contributions to fusion of membrane vesicles [J] . Ratnayake Punsisi U., Ekanayaka E. A. Prabodha, Komanduru Sweta S., Protein Expression and Purification . 2016,第Null期

机译：全长三聚体流感病毒血凝素II膜融合蛋白和缺少融合肽或跨膜结构域的较短构建体：全长蛋白和可溶性胞外域和融合肽的超热稳定性为膜囊泡的融合做出了重要贡献
3. The Impact of Influenza Hemagglutinin Fusion Peptide Length and Viral Subtype on Its Structure and Dynamics [J] . Justin L. Lorieau, John M. Louis, Ad Bax Biopolymers: Original Research on Biomolecules and Biomolecular Assemblies . 2013,第3期

机译：流感血凝素融合肽长度和病毒亚型对其结构和动力学的影响
4. PREDICTING STRUCTURE AND DYNAMICS OF LOOSELY-ORDERED PROTEIN COMPLEXES: INFLUENZA HEMAGGLUTININ FUSION PEPTIDE [C] . PETER M. KASSON, VIJAY S. PANDE Pacific Symposium on Biocomputing 2007 . 2007

机译：有序蛋白复合体的预测结构和动力学：流感血凝素融合肽
5. Solid state NMR studies of structure and dynamics of membrane associated influenza fusion peptide. [D] . Ghosh, Ujjayini. 2016

机译：固态NMR研究膜相关流感融合肽的结构和动力学。
6. Full-Length Trimeric Influenza Virus Hemagglutinin II Membrane Fusion Protein and Shorter Constructs Lacking the Fusion Peptide or Transmembrane Domain: Hyperthermostability of the Full-Length Protein and the Soluble Ectodomain and Fusion Peptide Make Significant Contributions to Fusion of Membrane Vesicles [O] . Punsisi U. Ratnayake, E. A. Prabodha Ekanayaka, Sweta S. Komanduru, -1

机译：全长三聚体流感病毒血凝素II膜融合蛋白和较短的构建体缺乏融合肽或跨膜结构域：全长蛋白的超热稳定性以及可溶性Ectodomain和融合肽为膜囊融合提供了重要作用。
7. Hydrogen–Deuterium Exchange Supports Independent Membrane-Interfacial Fusion Peptide and Transmembrane Domains in Subunit 2 of Influenza Virus Hemagglutinin Protein, a Structured and Aqueous-Protected Connection between the Fusion Peptide and Soluble Ectodomain, and the Importance of Membrane Apposition by the Trimer-of-Hairpins Structure [O] . Ahinsa Ranaweera, Punsisi U. Ratnayake, E. A. Prabodha Ekanayaka, 2019

机译：氢 - 氘交换支持流感病毒血凝素蛋白的亚基2的独立膜 - 界面融合肽和跨膜结构域，融合肽和可溶性各域之间的结构化和水保护连接，以及膜与三聚膜的重要性 - 发夹结构

PREDICTING STRUCTURE AND DYNAMICS OF LOOSELY-ORDERED PROTEIN COMPLEXES: INFLUENZA HEMAGGLUTININ FUSION PEPTIDE

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