5IM5

Crystal structure of designed two-component self-assembling icosahedral cage I53-40

Summary for 5IM5

• Entry DOI: 10.2210/pdb5im5/pdb
• Descriptor: Designed Riboflavin synthase, Designed Keto-hydroxyglutarate-aldolase/keto-deoxy-phosphogluconate aldolase (2 entities in total)
• Functional Keywords: icosahedron, designed protein cage, two-component, computational design, protein engineering, rosetta, self-assembling, co-assembling, multimerization, symmetry, nanomaterial, nanostructure, protein binding
• Biological source: Methanocaldococcus jannaschii (strain ATCC 43067 / DSM 2661 / JAL-1 / JCM 10045 / NBRC 100440); More
• Total number of polymer chains: 30
• Total formula weight: 606001.57

Authors

Liu, Y.A.,Cascio, D.,Sawaya, M.R.,Bale, J.B.,Collazo, M.J.,Thomas, C.,Sheffler, W.,King, N.P.,Baker, D.,Yeates, T.O. (deposition date: 2016-03-05, release date: 2016-07-27, Last modification date: 2023-09-27)

Primary citation

Bale, J.B.,Gonen, S.,Liu, Y.,Sheffler, W.,Ellis, D.,Thomas, C.,Cascio, D.,Yeates, T.O.,Gonen, T.,King, N.P.,Baker, D.
Accurate design of megadalton-scale two-component icosahedral protein complexes.
Science, 353:389-394, 2016

PubMed Abstract: Nature provides many examples of self- and co-assembling protein-based molecular machines, including icosahedral protein cages that serve as scaffolds, enzymes, and compartments for essential biochemical reactions and icosahedral virus capsids, which encapsidate and protect viral genomes and mediate entry into host cells. Inspired by these natural materials, we report the computational design and experimental characterization of co-assembling, two-component, 120-subunit icosahedral protein nanostructures with molecular weights (1.8 to 2.8 megadaltons) and dimensions (24 to 40 nanometers in diameter) comparable to those of small viral capsids. Electron microscopy, small-angle x-ray scattering, and x-ray crystallography show that 10 designs spanning three distinct icosahedral architectures form materials closely matching the design models. In vitro assembly of icosahedral complexes from independently purified components occurs rapidly, at rates comparable to those of viral capsids, and enables controlled packaging of molecular cargo through charge complementarity. The ability to design megadalton-scale materials with atomic-level accuracy and controllable assembly opens the door to a new generation of genetically programmable protein-based molecular machines.

PubMed: 27463675
DOI: 10.1126/science.aaf8818

Experimental method

X-RAY DIFFRACTION (3.699 Å)