Protection-against-water-attack determined difference between strengths of backbone hydrogen bonds in kinesin's neck zipper region
Qin, JY; Geng, YZ; Lu, G; Ji, Q; Fang, HP
2018
发表期刊CHINESE PHYSICS B
ISSN1674-1056
卷号27期号:2页码:-
文章类型期刊论文
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.
关键词Molecular-dynamics Motor Proteins Linker Binding Domain Force
DOI10.1088/1674-1056/27/2/028704
收录类别SCI
语种英语
WOS记录号WOS:000426739900001
引用统计
文献类型期刊论文
条目标识符http://ir.sinap.ac.cn/handle/331007/29113
专题中科院上海应用物理研究所2011-2018年
作者单位1.Qin, JY
2.Geng, YZ
3.Lu, G
4.Ji, Q
5.Fang, HP
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):-.
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),-.
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):-.
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