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Real-time structural signatures of protein allostery by electrically- and mechanically-coupled sensing

文献类型：期刊论文

作者Zhang, Mingkun1,2,3,4,5; Zheng, Zhi3,4,5; Zhou, Jin4,5; Ding, Qihan3,4,5; Long, Mian3,4,5; Lue, Shouqin3,4,5
刊名NANO TODAY
出版日期2024-04-01
卷号55页码:10
ISSN号1748-0132
关键词Nanopore sensing Atomic force microscopy (AFM) Protein allostery Steered molecular dynamics (SMD) Spheroid approximation
DOI10.1016/j.nantod.2024.102153
通讯作者Long, Mian(mlong@imech.ac.cn) ; Lue, Shouqin(lsq@imech.ac.cn)
英文摘要Accurate detection and identification of conformational evolutions are essential to describe the micro-structural mechanisms of protein allostery. Here we establish an approach by integrating nanopore sensing technique with atomic force microscopy, based on molecular dynamics simulations. A theoretical method is further developed to real-time estimate the low-resolution structures of those evolved conformations. Tests for the forced allostery of alpha X beta 2 integrin, a typical protein with multiple functional states, demonstrate that the spheroidal shape identifiers of those intermediate conformers present sufficient sensitivity to resolve two allosteric patterns of alpha X beta 2 from bent-down to stand-up states under the nanopore confinement. The strong steric confinement from the nanopore restricts the geometric displacements of key domains in conformational extension dynamics, thereby increasing the intramolecular interaction energy barrier to be overcome for standing. Prolongation of the neck-shoulder region of alpha X beta 2 and opening at the thigh-calf joint form a competitive compensation for the stretched height, resulting in two tendentious allosteric patterns under various confined diameters and steered speeds. Thus, this study proposes a new method to real-time visualize the conformational dynamics during protein allostery, favoring to depict structural characteristics for the conformations of those transient states and evaluate the impacts of the nanopore confinement on protein allostery.
WOS关键词MOLECULAR-DYNAMICS ; INTEGRIN ; STATE ; NANOPORE ; CONFORMATIONS ; ACTIVATION ; TRANSLOCATION ; ALGORITHM ; VELOCITY ; VERSION
资助项目National Natural Science Foundation of China[T2394512] ; National Natural Science Foundation of China[32130061] ; National Natural Science Foundation of China[12172366] ; Scientific Instrument Developing Project of Chinese Academy of Sciences[2016YFA0501601] ; National Key Research and Development Program of China ; [GJJSTD20220002]
WOS研究方向Chemistry ; Science & Technology - Other Topics ; Materials Science
语种英语
WOS记录号WOS:001162171800001
资助机构National Natural Science Foundation of China ; Scientific Instrument Developing Project of Chinese Academy of Sciences ; National Key Research and Development Program of China
源URL[http://dspace.imech.ac.cn/handle/311007/94421]  
专题力学研究所_国家微重力实验室
通讯作者Long, Mian; Lue, Shouqin
作者单位1.Univ Chinese Acad Sci, Chongqing Sch, Chongqing 400714, Peoples R China
2.Chinese Acad Sci, Chongqing Inst Green & Intelligent Technol, Chongqing Engn Res Ctr High Resolut & Three dimens, Chongqing 400714, Peoples R China
3.Univ Chinese Acad Sci, Sch Engn Sci, Beijing 100049, Peoples R China
4.Chinese Acad Sci, Inst Mech, CAS Ctr Excellence Complex Syst Mech, Beijing 100190, Peoples R China
5.Chinese Acad Sci, Ctr Biomech & Bioengn, Key Lab Micrograv, Natl Micrograv Lab,Beijing Key Lab Engn Construct, Beijing 100190, Peoples R China
推荐引用方式
GB/T 7714		 Zhang, Mingkun,Zheng, Zhi,Zhou, Jin,et al. Real-time structural signatures of protein allostery by electrically- and mechanically-coupled sensing[J]. NANO TODAY,2024,55:10.
APA Zhang, Mingkun,Zheng, Zhi,Zhou, Jin,Ding, Qihan,Long, Mian,&Lue, Shouqin.(2024).Real-time structural signatures of protein allostery by electrically- and mechanically-coupled sensing.NANO TODAY,55,10.
MLA Zhang, Mingkun,et al."Real-time structural signatures of protein allostery by electrically- and mechanically-coupled sensing".NANO TODAY 55(2024):10.

入库方式： OAI收割

来源：力学研究所

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