4O5T

Crystal structure of Diels-Alderase CE20 in complex with a product analog

4O5T の概要

• エントリーDOI: 10.2210/pdb4o5t/pdb
• 関連するPDBエントリー: 1E1A 3I1C 3U0S 4O5S
• 分子名称: Diisopropyl-fluorophosphatase, 4-{[2-(phosphonooxy)ethyl]carbamoyl}benzyl [(1R,6S)-6-(dimethylcarbamoyl)cyclohex-2-en-1-yl]carbamate (3 entities in total)
• 機能のキーワード: protein engineering, computer-aided design, diels-alder reaction, enzyme design, directed evolution, substrate specificity, beta-propeller, helix-loop-helix, de novo protein, artificial catalyst, diels-alderase, catalyst for cycloaddition, hydrolase, enzyme-product analog complex'
• 由来する生物種: Loligo vulgaris (Common European squid)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 75539.05

構造登録者

Beck, T.,Preiswerk, N.,Mayer, C.,Hilvert, D. (登録日: 2013-12-20, 公開日: 2014-06-04, 最終更新日: 2023-11-08)

• 主引用文献: Preiswerk, N.,Beck, T.,Schulz, J.D.,Milovnik, P.,Mayer, C.,Siegel, J.B.,Baker, D.,Hilvert, D.; Impact of scaffold rigidity on the design and evolution of an artificial Diels-Alderase.; Proc.Natl.Acad.Sci.USA, 111:8013-8018, 2014; PubMed: 24847076; DOI: 10.1073/pnas.1401073111

実験手法

X-RAY DIFFRACTION (2.9 Å)