9IPR

Crystal structure of CTB10-M1

Summary for 9IPR

• Entry DOI: 10.2210/pdb9ipr/pdb
• Descriptor: CTB10 (2 entities in total)
• Functional Keywords: artificial photoenzyme, biosynthetic protein
• Biological source: Cercospora sp. JNU001
• Total number of polymer chains: 8
• Total formula weight: 132358.17

Authors

Fu, K.,Rao, Y.J. (deposition date: 2024-07-11, release date: 2025-05-14)

Primary citation

Li, M.,Zhang, Y.,Fu, K.,Deng, Z.,Yuan, Z.,Luo, Z.,Rao, Y.
Light-Driven Deracemization by a Designed Photoenzyme.
J.Am.Chem.Soc., 147:13190-13199, 2025

PubMed Abstract: The creation of enzymes with abiological abilities offers exciting opportunities to access new-to-nature biocatalysis beyond that found in nature. Here, we repurpose a novel protein scaffold, CTB10, as an artificial photoenzyme through genetic code expansion. It enables catalytic deracemization of cyclopropane, a process that remains inaccessible to traditional biocatalysis due to its thermodynamically unfavorable nature. Following structural optimization through directed evolution, a broad substrate scope with high enantioselectivities is achieved. Furthermore, the crystal structure of the CTB10-based photoenzyme-substrate complex well demonstrates how the catalytic chiral cavity is sculpted to promote efficient and selective light-enabled deracemization. Therefore, this study unlocks the potential for achieving challenging deracemization through biocatalysis.

PubMed: 40219972
DOI: 10.1021/jacs.4c16521

Experimental method

X-RAY DIFFRACTION (1.94 Å)