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Qin, JY; Geng, YZ; Lu, G5; Ji, Q3,4,6; Fang, HP
Protection-against-water-attack determined difference between strengths of backbone hydrogen bonds in kinesin's neck zipper region
发表期刊CHINESE PHYSICS B
语种英语
关键词MOLECULAR-DYNAMICS MOTOR PROTEINS LINKER BINDING DOMAIN FORCE
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.
2018
ISSN1674-1056
卷号27期号:2页码:28704
学科领域Physics
学科门类Physics, Multidisciplinary
DOI10.1088/1674-1056/27/2/028704
收录类别SCIE
引用统计
文献类型期刊论文
条目标识符http://ir.itp.ac.cn/handle/311006/22965
专题理论物理所科研产出_SCI论文
作者单位1.Chinese Acad Sci, Shanghai Inst Appl Phys, Div Interfacial Water, Shanghai 201800, Peoples R China
2.Chinese Acad Sci, Shanghai Inst Appl Phys, Key Lab Interfacial Phys & Technol, Shanghai 201800, Peoples R China
3.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
4.Hebei Univ Technol, Inst Biophys, Tianjin 300401, Peoples R China
5.Hebei Univ Technol, Sch Sci, Tianjin 300401, Peoples R China
6.North China Elect Power Univ, Math & Phys Sci Sch, Baoding 071003, Peoples R China
7.Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, Beijing 100190, Peoples R China
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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.
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