G.B. Elyakov Pacific Institute of Bioorganic Chemistry FEB RAS, Vladivostok 690022, Russia.
Department of Biotechnology and Animal Science, National Ilan University, Ilan 260007, Taiwan.
Mar Drugs. 2022 Dec 23;21(1):10. doi: 10.3390/md21010010.
Most proteins have the ability to self-associate into homooligomeric protein complexes, which consist of two or more identical subunits. Today, modern methods of molecular modeling are an integral part of the study of many biologically active molecules. In silico methods are widely used in structure establishing and function and activity prediction of lectins - carbohydrate-binding proteins. Here, we described by computer simulation the spatial organization of lectin isolated from the mantle of the mussel (MTL). It was shown that the dimerization of MTL gives a total of six ligand binding sites that may be important for the manifestation its biological properties. The ability of MTL to form a dimeric and oligomeric structure was confirmed by dynamic light scattering and SDS-PAGE methods.
大多数蛋白质都具有自我缔合形成同寡聚体蛋白复合物的能力，这些复合物由两个或更多相同的亚基组成。如今，分子建模的现代方法是研究许多生物活性分子不可或缺的一部分。在计算机模拟中，广泛应用于建立结构和预测凝集素（碳水化合物结合蛋白）的功能和活性。在这里，我们通过计算机模拟描述了从贻贝套膜中分离出的凝集素（MTL）的空间组织。结果表明，MTL 的二聚化总共产生了六个配体结合位点，这可能对其生物特性的表现很重要。通过动态光散射和 SDS-PAGE 方法证实了 MTL 形成二聚体和多聚体结构的能力。
