Exploring the autoinhibition mechanism of the C-terminal guanine nucleotide exchange factor module of Trio through molecular dynamics simulations

doi:10.1016/j.cplett.2019.05.049

	Exploring the autoinhibition mechanism of the C-terminal guanine nucleotide exchange factor module of Trio through molecular dynamics simulations
	Zhang, Yuxin 1,2
刊名	CHEMICAL PHYSICS LETTERS
	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
出版者	ELSEVIER
WOS记录号	WOS:000478561700016
内容类型	期刊论文
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.