6T31

Streptavidin variants harbouring an artificial organocatalyst based cofactor

6T31 の概要

• エントリーDOI: 10.2210/pdb6t31/pdb
• 分子名称: Streptavidin, 5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-(1-pyridin-4-ylpiperidin-4-yl)pentanamide (3 entities in total)
• 機能のキーワード: artificial cofactor, streptavidin, catalyst, biotin-binding protein
• 由来する生物種: Streptomyces avidinii
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 34021.29

構造登録者

Lechner, H.,Hocker, B. (登録日: 2019-10-10, 公開日: 2020-11-18, 最終更新日: 2024-01-24)

主引用文献

Lechner, H.,Emann, V.R.,Breuning, M.,Hocker, B.
An Artificial Cofactor Catalyzing the Baylis-Hillman Reaction with Designed Streptavidin as Protein Host*.
Chembiochem, 22:1573-1577, 2021

PubMed Abstract: An artificial cofactor based on an organocatalyst embedded in a protein has been used to conduct the Baylis-Hillman reaction in a buffered system. As protein host, we chose streptavidin, as it can be easily crystallized and thereby supports the design process. The protein host around the cofactor was rationally designed on the basis of high-resolution crystal structures obtained after each variation of the amino acid sequence. Additionally, DFT-calculated intermediates and transition states were used to rationalize the observed activity. Finally, repeated cycles of structure determination and redesign led to a system with an up to one order of magnitude increase in activity over the bare cofactor and to the most active proteinogenic catalyst for the Baylis-Hillman reaction known today.

PubMed: 33400831
DOI: 10.1002/cbic.202000880

実験手法

X-RAY DIFFRACTION (1.35 Å)