Exploring the autoinhibition mechanism of the C-terminal guanine nucleotide exchange factor module of Trio through molecular dynamics simulations
文献类型：期刊论文
| 作者 | Zhang, Yuxin1,2 |
| 刊名 | CHEMICAL PHYSICS LETTERS
 |
| 出版日期 | 2019-09-01 |
| 卷号 | 730页码:100-104 |
| 关键词 | TrioC DH-PH interface MD Hydrogen bond |
| ISSN号 | 0009-2614 |
| DOI | 10.1016/j.cplett.2019.05.049 |
| 通讯作者 | Zhang, Yuxin(zyx19840227@126.com) |
| 英文摘要 | In this work, we carried out molecular dynamic simulations and hydrogen bonds analyses of the wild type TrioC and R2150A mutant respectively, and compared our results with the experimental observations. In either of the two systems, a stable hydrogen bonds network is formed near the DH-PH interface, contributing to maintaining the autoinhibited conformation of TrioC. Our work could be beneficial for the design of a small-molecule stabilizer of the autoinhibited TrioC conformation. |
| WOS关键词 | RHO-GTPASES ; CRYSTAL-STRUCTURE ; HOMOLOGY DOMAIN ; BINDING ; AMBER |
| WOS研究方向 | Chemistry ; Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:000478561700016 |
| 出版者 | ELSEVIER |
| 源URL | [http://cas-ir.dicp.ac.cn/handle/321008/173884]  |
| 专题 | 大连化学物理研究所_中国科学院大连化学物理研究所 |
| 通讯作者 | Zhang, Yuxin |
| 作者单位 | 1.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Zhongshan Rd 457, Dalian 116023, Peoples R China 2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zhang, Yuxin. Exploring the autoinhibition mechanism of the C-terminal guanine nucleotide exchange factor module of Trio through molecular dynamics simulations[J]. CHEMICAL PHYSICS LETTERS,2019,730:100-104. |
| APA | Zhang, Yuxin.(2019).Exploring the autoinhibition mechanism of the C-terminal guanine nucleotide exchange factor module of Trio through molecular dynamics simulations.CHEMICAL PHYSICS LETTERS,730,100-104. |
| MLA | Zhang, Yuxin."Exploring the autoinhibition mechanism of the C-terminal guanine nucleotide exchange factor module of Trio through molecular dynamics simulations".CHEMICAL PHYSICS LETTERS 730(2019):100-104. |
入库方式： OAI收割
来源：大连化学物理研究所
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