Computational design of self-assembling protein nanomaterials with atomic level accuracy.

Computational design of self-assembling protein nanomaterials with atomic level accuracy.
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DOI:
10.1126/science.1219364
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发表时间:
2012-06-01
期刊:
Science (New York, N.Y.)
影响因子:
--
通讯作者:
Baker D
Baker D
中科院分区:
其他
文献类型:
--
作者:
King NP;Sheffler W;Sawaya MR;Vollmar BS;Sumida JP;André I;Gonen T;Yeates TO;Baker D

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我们描述了一种通用的计算方法,用于设计自组装成所需的对称结构的蛋白质。蛋白质构建块对称地对接在一起,以确定互补的堆积排列,然后在构建块之间设计低能量的蛋白质-蛋白质界面,以驱动自组装。在这里,我们使用三聚体蛋白质构建块来设计一个24亚基,直径13 nm的八面体对称性复合体,以及一个12亚基,直径11 nm的四面体对称性复合体的两个相关变体。设计的蛋白质在溶液中组装成所需的低聚状态,复合体的晶体结构表明所得到的材料与设计模型非常匹配。该方法可用于设计多种自组装蛋白质纳米材料。
We describe a general computational method for designing proteins that self-assemble to a desired symmetric architecture. Protein building blocks are docked together symmetrically to identify complementary packing arrangements, and low-energy protein-protein interfaces are then designed between the building blocks in order to drive self-assembly. Here we use trimeric protein building blocks to design a 24-subunit, 13 nm diameter complex with octahedral symmetry and two related variants of a 12-subunit, 11 nm diameter complex with tetrahedral symmetry. The designed proteins assembled to the desired oligomeric states in solution, and crystal structures of the complexes revealed that the resulting materials closely match the design models. The method can be used to design a wide variety of self-assembling protein nanomaterials.
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