8D04

Hallucinated C2 protein assembly HALC2_062

8D04 の概要

• エントリーDOI: 10.2210/pdb8d04/pdb
• 分子名称: HALC2_062 (1 entity in total)
• 機能のキーワード: de novo design hallucination cyclic proteinmpnn, de novo protein
• 由来する生物種: synthetic construct
• タンパク質・核酸の鎖数: 6
• 化学式量合計: 48973.04

構造登録者

Ragotte, R.J.,Bera, A.K.,Wicky, B.I.M.,Milles, L.F.,Baker, D. (登録日: 2022-05-25, 公開日: 2022-09-28, 最終更新日: 2024-04-03)

主引用文献

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

実験手法

X-RAY DIFFRACTION (2.11 Å)