School of Marine Science and Technology, Harbin Institute of Technology, Weihai, Shandong, 264209, China.
School of Marine Science and Technology, Harbin Institute of Technology, Weihai, Shandong, 264209, China.
J Hazard Mater. 2020 Jun 5;391:122225. doi: 10.1016/j.jhazmat.2020.122225. Epub 2020 Feb 3.
This work has assessed the impact of typical heavy metal cations on C-phycocyanin in vitro and in silico. At low concentrations (<2×10 mol/L), the influence of Pb is the highest on the light absorption of C-phycocyanin trimer. At higher concentrations, however, a new order of influence on the light absorption has been observed with Cd < Cu < Pb < Zn. The fluorescence polarization has changed from the order of Cd < Pb≈Cu < Zn to Cd < Cu < Pb < Zn, when the metal concentrations reaches 2×10 mol/L. The mechanisms for these findings have been studied using FTIR, hydrophobic probe, isothermal titration calorimetry and molecular docking for the analysis of structure disorder of C-phycocyanin. It has been suggested that the secondary structure of C-phycocyanin affects more to the light absorbance while the fluorescence characteristics relies more on the tertiary structure. The interaction between Pb and C-phycocyanin is both enthalpically and entropically favoured, whereas the interactions for Cd, Cu and Zn are entropically driven. The ion-molecular docking suggests that the structure disorder of C-phycocyanin relies on the molecular interactions with metal ions. The in silico study also showed that the binding cites of Zn are closer to chromophores.
这项工作评估了典型重金属阳离子对体外和计算机模拟的藻蓝蛋白的影响。在低浓度(<2×10-5mol/L)下,Pb 对藻蓝蛋白三聚体的光吸收影响最大。然而,在更高的浓度下,观察到光吸收的影响新顺序为 Cd<Cu<Pb<Zn。当金属浓度达到 2×10-5mol/L 时,荧光偏振度已从 Cd<Pb≈Cu<Zn 变为 Cd<Cu<Pb<Zn。使用傅里叶变换红外光谱(FTIR)、疏水性探针、等温滴定量热法和分子对接分析藻蓝蛋白结构无序性来研究这些发现的机制。研究表明,藻蓝蛋白的二级结构对光吸收的影响更大,而荧光特性则更多地依赖于三级结构。Pb 与藻蓝蛋白之间的相互作用在焓和熵上都是有利的,而 Cd、Cu 和 Zn 的相互作用则是熵驱动的。离子-分子对接表明,藻蓝蛋白的结构无序性依赖于与金属离子的分子相互作用。计算机模拟研究还表明,Zn 的结合位点更接近发色团。