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8D05

Hallucinated C2 protein assembly HALC2_065

Summary for 8D05
Entry DOI10.2210/pdb8d05/pdb
DescriptorHALC2_065 (1 entity in total)
Functional Keywordsde novo design hallucination cyclic oligomer proteinmpnn, de novo protein
Biological sourcesynthetic construct
Total number of polymer chains1
Total formula weight7698.75
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 citationWicky, 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
Cited by
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
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (2.51 Å)
Structure validation

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