钴(II)与先天性免疫蛋白人钙蛋白结合的光谱学和计算研究。

IF 2.7 3区 化学 Q3 BIOCHEMISTRY & MOLECULAR BIOLOGY
Michelle M. Killian, Megan B. Brophy, Elizabeth M. Nolan, Thomas C. Brunold
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引用次数: 0

摘要

人类钙保护蛋白(CP)是一种先天性免疫蛋白,它能从入侵的微生物病原体中截留必需的金属营养物质,从而参与对感染的金属抑制反应。CP 由 S100A8(α 亚基,10.8 kDa)和 S100A9(β 亚基,13.2 kDa)组成。CP 的两个过渡金属结合位点形成于 S100A8/S100A9 二聚体界面。位点 1 是由 S100A8 亚基的 His83 和 His87 以及 S100A9 亚基的 His20 和 Asp30 组成的 His3Asp 基序。位点 2 是由 S100A8 残基 His17 和 His27 以及 S100A9 残基 His91、His95、His103 和 His105 组成的不寻常的六组脒基序。本研究利用 Co2+ 作为光谱探针,进一步确定了 CP 的 His3Asp 和 His6 位点的特征。磁性圆二色光谱与电子顺磁共振光谱和密度泛函理论计算相结合,表征了与 Co2+ 结合的 S100A8(C42S)/S100A9(C3S) CP-Ser 变体和六个位点变体,从而进一步探究了 His3Asp 和 His6 位点。我们的研究结果为了解 CP-Ser 的金属结合位点以及氨基酸取代对位点 2 结构的影响提供了新的视角。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Spectroscopic and computational investigations of Cobalt(II) binding to the innate immune protein human calprotectin

Spectroscopic and computational investigations of Cobalt(II) binding to the innate immune protein human calprotectin

Human calprotectin (CP) is an innate immune protein that participates in the metal-withholding response to infection by sequestering essential metal nutrients from invading microbial pathogens. CP is comprised of S100A8 (α subunit, 10.8 kDa) and S100A9 (β subunit, 13.2 kDa). Two transition-metal binding sites of CP form at the S100A8/S100A9 dimer interface. Site 1 is a His3Asp motif comprised of His83 and His87 from the S100A8 subunit and His20 and Asp30 from the S100A9 subunit. Site 2 is an unusual hexahistidine motif composed of S100A8 residues His17 and His27 and S100A9 residues His91, His95, His103, and His105. In the present study, the His3Asp and His6 sites of CP were further characterized by utilizing Co2+ as a spectroscopic probe. Magnetic circular dichroism spectroscopy was employed in conjunction with electron paramagnetic resonance spectroscopy and density functional theory computations to characterize the Co2+-bound S100A8(C42S)/S100A9(C3S) CP-Ser variant and six site variants that allowed the His3Asp and His6 sites to be further probed. Our results provide new insight into the metal-binding sites of CP-Ser and the effect of amino acid substitutions on the structure of site 2.

Graphical abstract

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来源期刊
Journal of Biological Inorganic Chemistry
Journal of Biological Inorganic Chemistry 化学-生化与分子生物学
CiteScore
5.90
自引率
3.30%
发文量
49
审稿时长
3 months
期刊介绍: Biological inorganic chemistry is a growing field of science that embraces the principles of biology and inorganic chemistry and impacts other fields ranging from medicine to the environment. JBIC (Journal of Biological Inorganic Chemistry) seeks to promote this field internationally. The Journal is primarily concerned with advances in understanding the role of metal ions within a biological matrix—be it a protein, DNA/RNA, or a cell, as well as appropriate model studies. Manuscripts describing high-quality original research on the above topics in English are invited for submission to this Journal. The Journal publishes original articles, minireviews, and commentaries on debated issues.
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