Insight into the binding affinity of thiourea in the calcium binding pocket of proteinase K, through high resolution X-ray crystallography
通过高分辨率X射线晶体成像,洞察蛋白酶K的钙结合口袋中硫脲的结合亲和力
作者: Malik Shoaib AhmadZeeshan AkbarM. Iqbal Choudhary
作者单位: 1Dr. Panjwani Center for Molecular Medicine and Drug Research, International Center for Chemical and Biological Sciences, University of Karachi, Karachi 75270, Pakistan
2H.E.J. Research Institute of Chemistry, International Center for Chemical and Biological Sciences, University of Karachi, Karachi 75270, Pakistan
3Department of Biochemistry, Faculty of Science, King Abdulaziz University, Jeddah 21412, Saudi Arabia
刊名: Bioorganic Chemistry, 2020, Vol.94
来源数据库: Elsevier Journal
DOI: 10.1016/j.bioorg.2019.103443
关键词: Proteinase KThioureaSerine proteaseX-ray crystallography
英文摘要: Abstract(#br)Proteinase K is a stable serine protease, crystallized and extensively used in the study of molecular interactions at the atomic level. During the current study, crystal structure of proteinase K with thiourea (TU) was solved at 1.45 Å (angstrom) resolution. Proteinase K showed its binding affinity with thiourea after soaking with 200 mM (millimolar) concentration of thiourea solution for 6 h. The binding affinity of proteinase K was evaluated with three different molecules i.e. , thiourea, acetamide, and thiosemicarbazide. Interestingly, only the thiourea went into the calcium-binding region, and showed interactions with those amino acids which have also displayed interactions with calcium previously. Pro175 (proline 175), Ser197 (Serine 197), Val198 (valine 198), and Asp200...
全文获取路径: Elsevier  (合作)
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影响因子:1.732 (2012)

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关键词翻译
关键词翻译
  • thiourea 硫脲
  • calcium 
  • proteinase 朊酶
  • affinity 亲和力
  • pocket 矿囊
  • binding 装订
  • resolution 分解能力
  • protease 朊酶
  • through 经过