Distinct binding kinetics of E-, P- and L-selectins to CD44 | |
Li LD(李林达)1,2,3; Ding QH(丁奇寒)2,3,4; Zhou J(周瑾)2,3,4; Wu Y(武亿)2,3,4; Zhang MK(张明坤)2,3,4; Guo XM1; Long M(龙勉)2,3,4; Lv SQ(吕守芹)2,3,4 | |
发表期刊 | FEBS JOURNAL |
2022-05 | |
页码 | 18 |
ISSN | 1742-464X |
摘要 | Molecular-level selectin-cluster of differentiation 44 (CD44) interactions are far from clear because of the complexity and diversity of CD44 glycosylation and isoforms expressed on various types of cells. By combining experimental measurements and simulation predictions, the binding kinetics of three selectin members to the recombinant CD44 were quantified and the corresponding microstructural mechanisms were explored, respectively. Experimental results showed that the E-selectin-CD44 interactions mainly mediated the firm adhesion of microbeads under shear flow with the strongest rupture force. P- and L-selectins had similar interaction strength but different association and dissociation rates by mediating stable rolling and transient adhesions of microbeads, respectively. Molecular docking and molecular dynamics (MD) simulations predicted that the binding epitopes of CD44 to selectins are all located at the side face of each selectin, although the interfaces denoted as the hinge region are between lectin and epidermal growth factor domains of E-selectin, Lectin domain side of P-selectin and epidermal growth factor domain side of L-selectin, respectively. The lowest binding free energy, the largest rupture force and the longest lifetime for E-selectin, as well as the comparable values for P- and L-selectins, demonstrated in both equilibration and steered MD simulations, supported the above experimental results. These results offer basic data for understanding the functional differences of selectin-CD44 interactions. |
关键词 | binding epitope binding kinetics CD44 selectin |
DOI | 10.1111/febs.16303 |
收录类别 | SCI |
语种 | 英语 |
WOS记录号 | WOS:000729568500001 |
关键词[WOS] | MOLECULAR-DYNAMICS ; CELL-ADHESION ; LIGAND ; RECEPTOR ; PSGL-1 ; DISSOCIATION ; DOMAIN ; FIBRIN |
WOS研究方向 | Biochemistry & Molecular Biology |
WOS类目 | Biochemistry & Molecular Biology |
资助项目 | National Key Research and Development Program of China[2016YFA0501601] ; National Natural Science Foundation of China[11972042] ; Frontier Science Key Project of Chinese Science Academy[QYZDJ-SSW-JSC018] ; Strategic Priority Research Program of Chinese Academy of Sciences[XDB22040101] |
项目资助者 | National Key Research and Development Program of China ; National Natural Science Foundation of China ; Frontier Science Key Project of Chinese Science Academy ; Strategic Priority Research Program of Chinese Academy of Sciences |
论文分区 | 二类/Q1 |
力学所作者排名 | 1 |
RpAuthor | Guo, Xingming |
引用统计 | |
文献类型 | 期刊论文 |
条目标识符 | http://dspace.imech.ac.cn/handle/311007/87967 |
专题 | 微重力重点实验室 |
作者单位 | 1.Chongqing Univ, Coll Bioengn, Minist Educ, Key Lab Biorheol Sci & Technol, Chongqing 400044, Peoples R China; 2.Chinese Acad Sci, Inst Mech, Ctr Biomech & Bioengn, Key Lab Micrograv,Natl Micrograv Lab,Beijing Key, Beijing 100190, Peoples R China; 3.Chinese Acad Sci, CAS Ctr Excellence Complex Syst Mech, Beijing 100190, Peoples R China; 4.Univ Chinese Acad Sci, Sch Engn Sci, Beijing, Peoples R China |
推荐引用方式 GB/T 7714 | Li LD,Ding QH,Zhou J,et al. Distinct binding kinetics of E-, P- and L-selectins to CD44[J]. FEBS JOURNAL,2022:18. |
APA | Li LD.,Ding QH.,Zhou J.,Wu Y.,Zhang MK.,...&Lv SQ.(2022).Distinct binding kinetics of E-, P- and L-selectins to CD44.FEBS JOURNAL,18. |
MLA | Li LD,et al."Distinct binding kinetics of E-, P- and L-selectins to CD44".FEBS JOURNAL (2022):18. |
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