Protection-against-water-attack determined difference between strengths of backbone hydrogen bonds in kinesin's neck zipper region

doi:10.1088/1674-1056/27/2/028704

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	Protection-against-water-attack determined difference between strengths of backbone hydrogen bonds in kinesin's neck zipper region
	Qin, JY ; Geng, YZ ; Lu, G 6; Ji, Q 1,5,7; Fang, HP
刊名	CHINESE PHYSICS B
	2018
卷号	27 期号:2 页码:28704
关键词	MOLECULAR-DYNAMICS MOTOR PROTEINS LINKER BINDING DOMAIN FORCE
ISSN号	1674-1056
DOI	10.1088/1674-1056/27/2/028704
英文摘要	Docking of the kinesin's neck linker (NL) to the motor domain is the key force-generation process of the kinesin. In this process, NL's beta 10 portion forms four backbone hydrogen bonds (HBs) with the motor domain. These backbone hydrogen bonds show big differences in their effective strength. The origins of these strength differences are still unclear. Using molecular dynamics method, we investigate the stability of the backbone HBs in explicit water environment. We find that the strength differences of these backbone HBs mainly arise from their relationships with water molecules which are controlled by arranging the surrounding residue sidechains. The arrangement of the residues in the C-terminal part of beta 10 results in the existence of the water-attack channels around the backbone HBs in this region. Along these channels the water molecules can directly attack the backbone HBs and make these HBs relatively weak. In contrast, the backbone HB at the N-terminus of beta 10 is protected by the surrounding hydrophobic and hydrophilic residues which cooperate positively with the central backbone HB and make this HB highly strong. The intimate relationship between the effective strength of protein backbone HB and water revealed here should be considered when performing mechanical analysis for protein conformational changes.
学科主题	Physics
语种	英语
内容类型	期刊论文
源URL	[http://ir.itp.ac.cn/handle/311006/23546]
专题	理论物理研究所_理论物理所1978-2010年知识产出
作者单位	1.Hebei Univ Technol, Inst Biophys, Tianjin 300401, Peoples R China 2.Chinese Acad Sci, Shanghai Inst Appl Phys, Key Lab Interfacial Phys & Technol, Shanghai 201800, Peoples R China 3.Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, Beijing 100190, Peoples R China 4.Chinese Acad Sci, Shanghai Inst Appl Phys, Div Interfacial Water, Shanghai 201800, Peoples R China 5.North China Elect Power Univ, Math & Phys Sci Sch, Baoding 071003, Peoples R China 6.Hebei Univ Technol, Sch Sci, Tianjin 300401, Peoples R China 7.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
推荐引用方式 GB/T 7714	Qin, JY,Geng, YZ,Lu, G,et al. Protection-against-water-attack determined difference between strengths of backbone hydrogen bonds in kinesin's neck zipper region[J]. CHINESE PHYSICS B,2018,27(2):28704.
APA	Qin, JY,Geng, YZ,Lu, G,Ji, Q,&Fang, HP.(2018).Protection-against-water-attack determined difference between strengths of backbone hydrogen bonds in kinesin's neck zipper region.CHINESE PHYSICS B,27(2),28704.
MLA	Qin, JY,et al."Protection-against-water-attack determined difference between strengths of backbone hydrogen bonds in kinesin's neck zipper region".CHINESE PHYSICS B 27.2(2018):28704.