8D07

Hallucinated C3 protein assembly HALC3_109

Summary for 8D07

• Entry DOI: 10.2210/pdb8d07/pdb
• Descriptor: HALC3_109 (1 entity in total)
• Functional Keywords: de novo design hallucination cyclic oligomer proteinmpnn, de novo protein
• Biological source: synthetic construct
• Total number of polymer chains: 6
• Total formula weight: 47928.86

Authors

Ragotte, R.J.,Bera, A.K.,Wicky, B.I.M.,Milles, L.F.,Baker, D. (deposition date: 2022-05-25, release date: 2022-09-28, Last modification date: 2024-04-03)

Primary citation

Wicky, B.I.M.,Milles, L.F.,Courbet, A.,Ragotte, R.J.,Dauparas, J.,Kinfu, E.,Tipps, S.,Kibler, R.D.,Baek, M.,DiMaio, F.,Li, X.,Carter, L.,Kang, A.,Nguyen, H.,Bera, A.K.,Baker, D.
Hallucinating symmetric protein assemblies.
Science, 378:56-61, 2022

PubMed Abstract: Deep learning generative approaches provide an opportunity to broadly explore protein structure space beyond the sequences and structures of natural proteins. Here, we use deep network hallucination to generate a wide range of symmetric protein homo-oligomers given only a specification of the number of protomers and the protomer length. Crystal structures of seven designs are very similar to the computational models (median root mean square deviation: 0.6 angstroms), as are three cryo-electron microscopy structures of giant 10-nanometer rings with up to 1550 residues and symmetry; all differ considerably from previously solved structures. Our results highlight the rich diversity of new protein structures that can be generated using deep learning and pave the way for the design of increasingly complex components for nanomachines and biomaterials.

PubMed: 36108048
DOI: 10.1126/science.add1964

Experimental method

X-RAY DIFFRACTION (2.09 Å)