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Accurate Computational Design of Three-dimensional Protein Crystals by Zhe Li; Shunzhi Wang; Una Nattermann; Asim K. Bera; Andrew J. Borst; Muammer Y. Yaman; Matthew J. Bick; Erin C. Yang; William Sheffler; Byeongdu Lee; Soenke Seifert; Greg L. Hura; Hannah Nguyen; Alex Kang; Radhika Dalal; Joshua M. Lubner; Yang Hsia; Hugh Haddox; Alexis Courbet; Quinton Dowling; Marcos Miranda; Andrew Favor; Ali Etemadi; Natasha I. Edman; Wei Yang; Connor Weidle; Banumathi Sankaran; Babak Negahdari; Michael B. Ross; David S. Ginger; David Baker is a Materials Science article available to read on EtoBox.

What is Accurate Computational Design of Three-dimensional Protein Crystals about?

Protein crystallization plays a central role in structural biology. Despite this, the process of crystallization remains poorly understood and highly empirical, with crystal contacts, lattice packing arrangements and space group preferences being largely unpredictable. Programming protein crystallization through precisely engineered side-chain-side-chain interactions across protein-protein interfaces is an outstanding challenge. Here we develop a general computational approach for designing three-dimensional protein crystals with prespecified lattice architectures at atomic accuracy that hierarchically constrains the overall number of degrees of freedom of the system. We design three pairs of oligomers that can be individually purified, and upon mixing, spontaneously self-assemble into >100 μm three-dimensional crystals. The structures of these crystals are nearly identical to the computational design models, closely corresponding in both overall architecture and the specific protein-protein interactions. The dimensions of the crystal unit cell can be systematically redesigned while retaining the space group symmetry and overall architecture, and the crystals are extremely porous a

Who reads Accurate Computational Design of Three-dimensional Protein Crystals?

Author

Zhe Li; Shunzhi Wang; Una Nattermann; Asim K. Bera; Andrew J. Borst; Muammer Y. Yaman; Matthew J. Bick; Erin C. Yang; William Sheffler; Byeongdu Lee; Soenke Seifert; Greg L. Hura; Hannah Nguyen; Alex Kang; Radhika Dalal; Joshua M. Lubner; Yang Hsia; Hugh Haddox; Alexis Courbet; Quinton Dowling; Marcos Miranda; Andrew Favor; Ali Etemadi; Natasha I. Edman; Wei Yang; Connor Weidle; Banumathi Sankaran; Babak Negahdari; Michael B. Ross; David S. Ginger; David Baker

Publisher

Springer Science and Business Media LLC

Published

2023

Field

Materials Science (Physical Sciences)