7DMN

Crystal structure of two pericyclases catalyzing [4+2] cycloaddition

7DMN の概要

• エントリーDOI: 10.2210/pdb7dmn/pdb
• 分子名称: Diels-Alderase fsa2, GLYCEROL (3 entities in total)
• 機能のキーワード: [4+2]-pericyclase, biosynthetic protein, isomerase
• 由来する生物種: Fusarium sp. (strain FN080326)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 41302.83

構造登録者

Chi, C.B.,Wang, Z.D.,Liu, T.,Zhang, Z.Y.,Ma, M. (登録日: 2020-12-04, 公開日: 2021-10-06, 最終更新日: 2024-04-03)

主引用文献

Chi, C.,Wang, Z.,Liu, T.,Zhang, Z.,Zhou, H.,Li, A.,Jin, H.,Jia, H.,Yin, F.,Yang, D.,Ma, M.
Crystal Structures of Fsa2 and Phm7 Catalyzing [4 + 2] Cycloaddition Reactions with Reverse Stereoselectivities in Equisetin and Phomasetin Biosynthesis.
Acs Omega, 6:12913-12922, 2021

PubMed Abstract: Fsa2 and Phm7 are a unique pair of pericyclases catalyzing [4 + 2] cycloaddition reactions with reverse stereoselectivities in the biosynthesis of equisetin and phomasetin, both of which are potent HIV-1 integrase inhibitors. We here solve the crystal structures of Fsa2 and Phm7, both of which possess unusual "two-β barrel" folds. Different residues are evident between the active sites of Fsa2 and Phm7, and modeling experiments provide key structural information determining the reverse stereoselectivities. These results provide a better understanding of how natural pericyclases control the catalytic stereoselectivities and benefit the protein engineering in future.

PubMed: 34056443
DOI: 10.1021/acsomega.1c01593

実験手法

X-RAY DIFFRACTION (2 Å)