8FJF
The three-repeat design H10
Summary for 8FJF
| Entry DOI | 10.2210/pdb8fjf/pdb |
| Descriptor | H10 (2 entities in total) |
| Functional Keywords | de novo protein, hallucination, repeat proteins, central pockets, pseudocyclic proteins |
| Biological source | synthetic construct |
| Total number of polymer chains | 1 |
| Total formula weight | 14389.23 |
| Authors | Bera, A.K.,An, L.,Baker, D. (deposition date: 2022-12-19, release date: 2023-09-27, Last modification date: 2023-11-22) |
| Primary citation | An, L.,Hicks, D.R.,Zorine, D.,Dauparas, J.,Wicky, B.I.M.,Milles, L.F.,Courbet, A.,Bera, A.K.,Nguyen, H.,Kang, A.,Carter, L.,Baker, D. Hallucination of closed repeat proteins containing central pockets. Nat.Struct.Mol.Biol., 30:1755-1760, 2023 Cited by PubMed Abstract: In pseudocyclic proteins, such as TIM barrels, β barrels, and some helical transmembrane channels, a single subunit is repeated in a cyclic pattern, giving rise to a central cavity that can serve as a pocket for ligand binding or enzymatic activity. Inspired by these proteins, we devised a deep-learning-based approach to broadly exploring the space of closed repeat proteins starting from only a specification of the repeat number and length. Biophysical data for 38 structurally diverse pseudocyclic designs produced in Escherichia coli are consistent with the design models, and the three crystal structures we were able to obtain are very close to the designed structures. Docking studies suggest the diversity of folds and central pockets provide effective starting points for designing small-molecule binders and enzymes. PubMed: 37770718DOI: 10.1038/s41594-023-01112-6 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (1.6 Å) |
Structure validation
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