Additional Iron Ions Binding Sites in Hemoglobin: XANES Modeling

IF 0.9 4区 物理与天体物理 Q4 OPTICS Optics and Spectroscopy Pub Date : 2024-09-11 DOI:10.1134/S0030400X24040131
E. V. Pronina, M. A. Kremennaya, V. Yu. Lysenko, G. E. Yalovega
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Abstract

The contributions of additional Fe-binding sites and heme iron to the experimental spectrum of urea-influenced hemoglobin were evaluated based on theoretical analysis of X-ray absorption spectra. The theoretical Fe K-edge X-ray absorption spectra were calculated for structural models of the supposed additional Fe binding sites and heme. Linear combination fit of theoretical spectra showed that in treated hemoglobin iron ions are more likely to be in the additional Fe-binding sites, which is surrounded by the following amino acids: cysteine-93, histidine-146, and asparagine-94 (Cys93, His 146, Asp 94).

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血红蛋白中的其他铁离子结合位点:XANES 建模
摘要 根据对 X 射线吸收光谱的理论分析,评估了额外的铁结合位点和血红素铁对尿素影响血红蛋白实验光谱的贡献。根据假定的额外铁结合位点和血红素的结构模型计算了铁 K 边 X 射线吸收光谱。理论光谱的线性组合拟合结果表明,在处理过的血红蛋白中,铁离子更有可能位于额外的铁结合位点,该位点被以下氨基酸包围:半胱氨酸-93、组氨酸-146 和天冬酰胺-94(Cys93、His 146、Asp 94)。
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来源期刊
Optics and Spectroscopy
Optics and Spectroscopy 物理-光谱学
CiteScore
1.60
自引率
0.00%
发文量
55
审稿时长
4.5 months
期刊介绍: Optics and Spectroscopy (Optika i spektroskopiya), founded in 1956, presents original and review papers in various fields of modern optics and spectroscopy in the entire wavelength range from radio waves to X-rays. Topics covered include problems of theoretical and experimental spectroscopy of atoms, molecules, and condensed state, lasers and the interaction of laser radiation with matter, physical and geometrical optics, holography, and physical principles of optical instrument making.
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