Molecular dynamics studies on the NMR structures of rabbit prion protein wild type and mutants: surface electrostatic charge distributions

Zhang Jiapu; Wang Feng; Zhang Yuanli

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Molecular dynamics studies on the NMR structures of rabbit prion protein wild type and mutants: surface electrostatic charge distributions

机译：兔病毒蛋白野生型和突变体核磁共振结构的分子动力学研究：表面静电荷分布

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摘要

Prion diseases are invariably fatal and highly infectious neurodegenerative diseases that affect a wide variety of mammalian species such as sheep and goats, cattle, deer and elk, and humans. But for rabbits, studies have shown that they have a low susceptibility to be infected by prion diseases. This paper does molecular dynamics (MD) studies of rabbit NMR structures (of the wild type and its two mutants of two surface residues), in order to understand the specific mechanism of rabbit prion proteins (RaPrPC). Protein surface electrostatic charge distributions are specially focused to analyze the MD trajectories. This paper can conclude that surface electrostatic charge distributions indeed contribute to the structural stability of wild-type RaPrPC; this may be useful for the medicinal treatment of prion diseases.

机译：on病毒疾病始终是致命的和高度传染性的神经退行性疾病，会影响多种哺乳动物，例如绵羊和山羊，牛，鹿和麋鹿以及人类。但是对于兔子来说，研究表明它们对病毒感染的敏感性较低。为了了解兔病毒蛋白（RaPrPC）的具体机制，本文对兔NMR结构（野生型及其两个表面残基的两个突变体）进行了分子动力学（MD）研究。蛋白质表面静电荷分布特别集中于分析MD轨迹。本文可以得出结论，表面静电荷的分布确实有助于野生型RaPrPC的结构稳定性。这可能对of病毒疾病的药物治疗有用。

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来源
《Journal of Biomolecular Structure and Dynamics》 |2015年第6期|共10页
作者
Zhang Jiapu; Wang Feng; Zhang Yuanli;
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正文语种 eng
中图分类分子生物学;
关键词
NMR structures; surface electrostatic charge distributions; rabbit prion protein wild type and mutants; prion diseases; molecular dynamics study;

机译：核磁共振结构;表面静电荷分布;兔病毒蛋白的野生型和突变体;pr病毒疾病;分子动力学研究;

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专利

1. Molecular dynamics studies on the NMR structures of rabbit prion protein wild type and mutants: surface electrostatic charge distributions [J] . Zhang Jiapu, Wang Feng, Zhang Yuanli Journal of Biomolecular Structure and Dynamics . 2015,第5a6期

机译：兔病毒蛋白野生型和突变体核磁共振结构的分子动力学研究：表面静电荷分布
2. Molecular dynamics studies on the NMR and X-ray structures of rabbit prion proteins [J] . ZhangJ., ZhangY. Journal of Theoretical Biology . 2014,第Null期

机译：兔病毒蛋白的NMR和X射线结构的分子动力学研究
3. Molecular dynamics study on the stability of wild-type and the R220K mutant of human prion protein [J] . Xin Chen, Shuyan Zhu, Shoubin Wang, Molecular simulation . 2014,第4a6期

机译：人类病毒蛋白野生型及其R220K突变体稳定性的分子动力学研究
4. Study of protein folding/unfolding structure mechanism of staphylococcal nuclease wild type and its mutant V66W by PEPS-HDX-ESI-MS [C] . Rohana Liyanage, Derek Pyland, Jackson O. Lay, American Society for Mass Spectrometry Conference on Mass Spectrometry and Allied Topics . 2013

机译：蛋白质粘合剂野生型蛋白质折叠/展开结构机制及其蛋白酶蛋白酶β-eSI-MS的突变体V66W
5. Structure-based design of mutant proteins: I. Molecular docking studies of amino acid binding to wild-type aminoacyl-tRNA synthetases. II. Structure-based design of mutant aminoacyl-tRNA synthetases for non-natural amino acid incorporation. [D] . Zhang, Deqiang. 2003

机译：基于结构的突变蛋白设计：I.氨基酸与野生型氨酰基tRNA合成酶结合的分子对接研究。二。非天然氨基酸掺入的突变型氨酰基-tRNA合成酶的基于结构的设计。
6. Structures and Free Energy Landscapes of the A53T Mutant-Type α-Synuclein Protein and Impact of A53T Mutation on the Structures of the Wild-Type α-Synuclein Protein with Dynamics [O] . Orkid Coskuner, *, Olivia Wise-Scira 2013

机译：动态的A53T突变型α-突触核蛋白蛋白的结构和自由能景观以及A53T突变对野生型α-突触核蛋白蛋白结构的影响
7. Molecular dynamics studies on the NMR structures of rabbit prion protein wild type and mutants: surface electrostatic charge distributions [O] . Zhang, Jiapu, Wang, Feng, Zhang, Yuanli 2015

机译：兔朊蛋白野生型和突变体的核磁共振结构的分子动力学研究：表面静电荷分布

Molecular dynamics studies on the NMR structures of rabbit prion protein wild type and mutants: surface electrostatic charge distributions

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