8SJG
Zn-Bound Structure of Computationally Designed Homotrimer Tet4
Summary for 8SJG
| Entry DOI | 10.2210/pdb8sjg/pdb |
| Related | 8SJF |
| Descriptor | Tet4, ZINC ION (3 entities in total) |
| Functional Keywords | metalloprotein, computational design, de novo protein |
| Biological source | synthetic construct |
| Total number of polymer chains | 2 |
| Total formula weight | 25254.04 |
| Authors | Hoffnagle, A.M.,Tezcan, F.A. (deposition date: 2023-04-18, release date: 2023-07-05, Last modification date: 2024-05-22) |
| Primary citation | Hoffnagle, A.M.,Tezcan, F.A. Atomically Accurate Design of Metalloproteins with Predefined Coordination Geometries. J.Am.Chem.Soc., 145:14208-14214, 2023 Cited by PubMed Abstract: We report a new computational protein design method for the construction of oligomeric protein assemblies around metal centers with predefined coordination geometries. We apply this method to design two homotrimeric assemblies, Tet4 and TP1, with tetrahedral and trigonal-pyramidal tris(histidine) metal coordination geometries, respectively, and demonstrate that both assemblies form the targeted metal centers with ≤0.2 Å accuracy. Although Tet4 and TP1 are constructed from the same parent protein building block, they are distinct in terms of their overall architectures, the environment surrounding the metal centers, and their metal-based reactivities, illustrating the versatility of our approach. PubMed: 37352018DOI: 10.1021/jacs.3c04047 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.39 Å) |
Structure validation
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