3WWA

Crystal structure of the computationally designed Pizza7 protein after heat treatment

Summary for 3WWA

• Entry DOI: 10.2210/pdb3wwa/pdb
• Related: 3WW7 3WW8 3WW9 3WWB 3WWF
• Descriptor: Pizza7H protein, ISOPROPYL ALCOHOL (3 entities in total)
• Functional Keywords: computational protein design, self-assembly, de novo protein
• Total number of polymer chains: 1
• Total formula weight: 30183.18

Authors

Voet, A.R.D.,Noguchi, H.,Addy, C.,Simoncini, D.,Terada, D.,Unzai, S.,Park, S.Y.,Zhang, K.Y.J.,Tame, J.R.H. (deposition date: 2014-06-17, release date: 2014-10-08, Last modification date: 2024-03-20)

Primary citation

Voet, A.R.D.,Noguchi, H.,Addy, C.,Simoncini, D.,Terada, D.,Unzai, S.,Park, S.Y.,Zhang, K.Y.J.,Tame, J.R.H.
Computational design of a self-assembling symmetrical beta-propeller protein.
Proc.Natl.Acad.Sci.USA, 111:15102-15107, 2014

PubMed Abstract: The modular structure of many protein families, such as β-propeller proteins, strongly implies that duplication played an important role in their evolution, leading to highly symmetrical intermediate forms. Previous attempts to create perfectly symmetrical propeller proteins have failed, however. We have therefore developed a new and rapid computational approach to design such proteins. As a test case, we have created a sixfold symmetrical β-propeller protein and experimentally validated the structure using X-ray crystallography. Each blade consists of 42 residues. Proteins carrying 2-10 identical blades were also expressed and purified. Two or three tandem blades assemble to recreate the highly stable sixfold symmetrical architecture, consistent with the duplication and fusion theory. The other proteins produce different monodisperse complexes, up to 42 blades (180 kDa) in size, which self-assemble according to simple symmetry rules. Our procedure is suitable for creating nano-building blocks from different protein templates of desired symmetry.

PubMed: 25288768
DOI: 10.1073/pnas.1412768111

Experimental method

X-RAY DIFFRACTION (1.988 Å)