8R8O
Hallucinated de novo TIM barrel with three helical extensions - HalluTIM3-1
Summary for 8R8O
| Entry DOI | 10.2210/pdb8r8o/pdb |
| Descriptor | HalluTIM3-1, GLYCEROL, SULFATE ION, ... (6 entities in total) |
| Functional Keywords | hallucination, tim barrel, de novo protein |
| Biological source | synthetic construct |
| Total number of polymer chains | 1 |
| Total formula weight | 32874.93 |
| Authors | |
| Primary citation | Beck, J.,Shanmugaratnam, S.,Hocker, B. Diversifying de novo TIM barrels by hallucination. Protein Sci., 33:e5001-e5001, 2024 Cited by PubMed Abstract: De novo protein design expands the protein universe by creating new sequences to accomplish tailor-made enzymes in the future. A promising topology to implement diverse enzyme functions is the ubiquitous TIM-barrel fold. Since the initial de novo design of an idealized four-fold symmetric TIM barrel, the family of de novo TIM barrels is expanding rapidly. Despite this and in contrast to natural TIM barrels, these novel proteins lack cavities and structural elements essential for the incorporation of binding sites or enzymatic functions. In this work, we diversified a de novo TIM barrel by extending multiple βα-loops using constrained hallucination. Experimentally tested designs were found to be soluble upon expression in Escherichia coli and well-behaved. Biochemical characterization and crystal structures revealed successful extensions with defined α-helical structures. These diversified de novo TIM barrels provide a framework to explore a broad spectrum of functions based on the potential of natural TIM barrels. PubMed: 38723111DOI: 10.1002/pro.5001 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.15 Å) |
Structure validation
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