Probing the structure and dynamics of caveolin-1 in a caveolae-mimicking asymmetric lipid bilayer model

doi:10.1007/s00249-016-1118-1

CORC > 上海药物研究所 > 中国科学院上海药物研究所 > 药物发现与设计中心

	Probing the structure and dynamics of caveolin-1 in a caveolae-mimicking asymmetric lipid bilayer model
	Liu, Hanqi 1; Yang, Linlin 2; Zhang, Qiansen 2; Mao, Lingxue 1; Jiang, Hualiang1,2 ; Yang, Huaiyu 2
刊名	EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS
	2016-09
卷号	45 期号:6 页码:511-521
关键词	Caveolin Caveolae Molecular dynamics simulation Lipid raft
ISSN号	0175-7571
DOI	10.1007/s00249-016-1118-1
文献子类	Article
英文摘要	Caveolin-1 is the principle membrane protein of caveolae and plays an important role in various cellular processes. The protein contains two helices (H1 and H2) connected by a three-residue break. Although caveolin-1 is assumed to adopt a U-shaped conformation in the transmembrane domain, with both the N-terminus and C-terminus exposed to the cytoplasm, the structure and dynamics of caveolin-1 in membranes are still unclear. Here, we performed six molecular dynamics simulations to characterize the structure and dynamics of caveolin-1 (residues D82-S136; Cav1(82-136)) in a caveolae-mimicking asymmetric lipid bilayer. The simulations reveal that the structure of the caveolin scaffolding domain of caveolin-1 is dynamic, as it could be either fully helical or partly unstructured. Cav1(82-136) inserts into the inner leaflet of the asymmetric lipid bilayer with a stable U-shaped conformation and orients almost vertical to the bilayer surface. The simulations also provide new insights into the effects of caveolin-1 on the morphology of caveolae and the possible interacting site of cholesterol on caveolin-1.
WOS关键词	ADDITIVE FORCE-FIELD ; C-TERMINAL DOMAIN ; SCAFFOLDING DOMAIN ; MOLECULAR-DYNAMICS ; IN-VIVO ; MEMBRANE CHOLESTEROL ; SIGNAL-TRANSDUCTION ; BINDING ; PROTEIN ; CHARMM
WOS研究方向	Biophysics
语种	英语
出版者	SPRINGER
WOS记录号	WOS:000384722500003
内容类型	期刊论文
源URL	[http://119.78.100.183/handle/2S10ELR8/275908]
专题	药物发现与设计中心中科院受体结构与功能重点实验室新药研究国家重点实验室
通讯作者	Jiang, Hualiang; Yang, Huaiyu
作者单位	1.East China Univ Sci & Technol, Sch Pharm, 130 Meilong Rd, Shanghai 200237, Peoples R China; 2.Chinese Acad Sci, Shanghai Inst Mat Med, Drug Discovery & Design Ctr, State Key Lab Drug Res, 555 Zuchongzhi Rd, Shanghai 201203, Peoples R China
推荐引用方式 GB/T 7714	Liu, Hanqi,Yang, Linlin,Zhang, Qiansen,et al. Probing the structure and dynamics of caveolin-1 in a caveolae-mimicking asymmetric lipid bilayer model[J]. EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS,2016,45(6):511-521.
APA	Liu, Hanqi,Yang, Linlin,Zhang, Qiansen,Mao, Lingxue,Jiang, Hualiang,&Yang, Huaiyu.(2016).Probing the structure and dynamics of caveolin-1 in a caveolae-mimicking asymmetric lipid bilayer model.EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS,45(6),511-521.
MLA	Liu, Hanqi,et al."Probing the structure and dynamics of caveolin-1 in a caveolae-mimicking asymmetric lipid bilayer model".EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS 45.6(2016):511-521.