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TitleComputational design of self-assembling protein nanomaterials with atomic level accuracy.
Journal, issue, pagesScience, Vol. 336, Issue 6085, Page 1171-1174, Year 2012
Publish dateJun 1, 2012
AuthorsNeil P King / William Sheffler / Michael R Sawaya / Breanna S Vollmar / John P Sumida / Ingemar André / Tamir Gonen / Todd O Yeates / David Baker /
PubMed AbstractWe 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 ...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. We used trimeric protein building blocks to design a 24-subunit, 13-nm diameter complex with octahedral symmetry and a 12-subunit, 11-nm diameter complex with tetrahedral symmetry. The designed proteins assembled to the desired oligomeric states in solution, and the 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.
External linksScience / PubMed:22654060 / PubMed Central
MethodsEM (single particle) / X-ray diffraction
Resolution2.21 - 20.0 Å
Structure data

EMDB-5438:
3D reconstruction of a self-assembling designed oligomer with octahedral symmetry
Method: EM (single particle) / Resolution: 20.0 Å

PDB-3vcd:
Computationally Designed Self-assembling Octahedral Cage protein, O333, Crystallized in space group R32
Method: X-RAY DIFFRACTION / Resolution: 2.35 Å

PDB-4dcl:
Computationally Designed Self-assembling tetrahedron protein, T308, Crystallized in space group F23
Method: X-RAY DIFFRACTION / Resolution: 3.35 Å

PDB-4ddf:
Computationally Designed Self-assembling Octahedral Cage protein, O333, Crystallized in space group P4
Method: X-RAY DIFFRACTION / Resolution: 3.15 Å

PDB-4egg:
Computationally Designed Self-assembling tetrahedron protein, T310
Method: X-RAY DIFFRACTION / Resolution: 2.21 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-GOL:
GLYCEROL

Source
  • salmonella enterica (bacteria)
  • staphylococcus aureus subsp. aureus (bacteria)
KeywordsELECTRON TRANSPORT / self assembling octahedral cage design / TRANSFERASE / self assembling tetrahedron design

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