8SJI

Apo Structure of Computationally Designed Homotrimer TP1

8SJI の概要

• エントリーDOI: 10.2210/pdb8sji/pdb
• 関連するPDBエントリー: 8SJF 8SJG 8SJH
• 分子名称: Topoisomerase 1, CALCIUM ION, CHLORIDE ION, ... (4 entities in total)
• 機能のキーワード: metalloprotein, computational design, de novo protein
• 由来する生物種: synthetic construct
• タンパク質・核酸の鎖数: 3
• 化学式量合計: 37666.00

構造登録者

Hoffnagle, A.M.,Tezcan, F.A. (登録日: 2023-04-18, 公開日: 2023-07-05, 最終更新日: 2024-05-22)

主引用文献

Hoffnagle, A.M.,Tezcan, F.A.
Atomically Accurate Design of Metalloproteins with Predefined Coordination Geometries.
J.Am.Chem.Soc., 145:14208-14214, 2023

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: 37352018
DOI: 10.1021/jacs.3c04047

実験手法

X-RAY DIFFRACTION (1.5 Å)