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Structural Basis for the Inhibition of the Autophosphorylation Activity of HK853 by Luteolin

文献类型：期刊论文

作者Jiang, Ling3; Liu, Yixiang3; Liu, Maili3; Li, Conggang3; Luo, Liang2,3; Hou, Shi1; Ji, Shixia2,3; Huang, Liqun2,3; Zhou, Yuan2,3
刊名MOLECULES
出版日期2019-03-01
卷号24期号:5页码:11
ISSN号1420-3049
关键词two-component system histidine kinase luteolin ATP NMR molecular docking inhibition
DOI10.3390/molecules24050933
英文摘要The two-component system (TCS) is a significant signal transduction system for bacteria to adapt to complicated and variable environments, and thus has recently been regarded as a novel target for developing antibacterial agents. The natural product luteolin (Lut) can inhibit the autophosphorylation activity of the typical histidine kinase (HK) HK853 from Thermotoga maritime, but the inhibition mechanism is not known. Herein, we report on the binding mechanism of a typical flavone with HK853 by using solution NMR spectroscopy, isothermal titration calorimetry (ITC), and molecular docking. We show that luteolin inhibits the activity of HK853 by occupying the binding pocket of adenosine diphosphate (ADP) through hydrogen bonds and pi-pi stacking interaction structurally. Our results reveal a detailed mechanism for the inhibition of flavones and observe the conformational and dynamics changes of HK. These results should provide a feasible approach for antibacterial agent design from the view of the histidine kinases.
WOS关键词BACTERIAL HISTIDINE KINASES ; SIGNAL-TRANSDUCTION ; 2-COMPONENT ; MECHANISMS ; BINDING ; ASPARTATE
资助项目National Key R&D Program of China[2017YFA0505400] ; National Science Foundation of China[21573280] ; National Science Foundation of China[21603268] ; National Science Foundation of China[21735007]
WOS研究方向Biochemistry & Molecular Biology ; Chemistry
语种英语
出版者MDPI
WOS记录号WOS:000462662900109
资助机构National Key R&D Program of China ; National Key R&D Program of China ; National Science Foundation of China ; National Science Foundation of China ; National Key R&D Program of China ; National Key R&D Program of China ; National Science Foundation of China ; National Science Foundation of China ; National Key R&D Program of China ; National Key R&D Program of China ; National Science Foundation of China ; National Science Foundation of China ; National Key R&D Program of China ; National Key R&D Program of China ; National Science Foundation of China ; National Science Foundation of China
源URL[http://ir.wipm.ac.cn/handle/112942/13756]  
专题中国科学院武汉物理与数学研究所
通讯作者Jiang, Ling; Liu, Yixiang
作者单位1.Beijing Inst Pharmacol & Toxicol, Lab Comp Aided Drug Design & Discovery, Beijing 100850, Peoples R China
2.Chinese Acad Sci, Grad Univ, Beijing 100049, Peoples R China
3.Chinese Acad Sci, State Key Lab Magnet Resonance & Atom & Mol Phys, Natl Ctr Magnet Resonance Wuhan, Wuhan Inst Phys & Math,Key Lab Magnet Resonance B, Wuhan 430071, Hubei, Peoples R China
推荐引用方式
GB/T 7714		 Jiang, Ling,Liu, Yixiang,Liu, Maili,et al. Structural Basis for the Inhibition of the Autophosphorylation Activity of HK853 by Luteolin[J]. MOLECULES,2019,24(5):11.
APA Jiang, Ling.,Liu, Yixiang.,Liu, Maili.,Li, Conggang.,Luo, Liang.,...&Zhou, Yuan.(2019).Structural Basis for the Inhibition of the Autophosphorylation Activity of HK853 by Luteolin.MOLECULES,24(5),11.
MLA Jiang, Ling,et al."Structural Basis for the Inhibition of the Autophosphorylation Activity of HK853 by Luteolin".MOLECULES 24.5(2019):11.

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来源：武汉物理与数学研究所

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