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6TIJ

Structure of A. niger Fdc WT in complex with indol-2-carboxylic acid

これはPDB形式変換不可エントリーです。
6TIJ の概要
エントリーDOI10.2210/pdb6tij/pdb
分子名称Ferulic acid decarboxylase 1, MANGANESE (II) ION, POTASSIUM ION, ... (6 entities in total)
機能のキーワード(de)carboxylase, ubid, aromatic acid, prfmn, ligase
由来する生物種Aspergillus niger
タンパク質・核酸の鎖数1
化学式量合計57333.87
構造登録者
Leys, D. (登録日: 2019-11-22, 公開日: 2020-06-24, 最終更新日: 2024-01-24)
主引用文献Aleku, G.A.,Saaret, A.,Bradshaw-Allen, R.T.,Derrington, S.R.,Titchiner, G.R.,Gostimskaya, I.,Gahloth, D.,Parker, D.A.,Hay, S.,Leys, D.
Enzymatic C-H activation of aromatic compounds through CO 2 fixation.
Nat.Chem.Biol., 16:1255-1260, 2020
Cited by
PubMed Abstract: The direct C-H carboxylation of aromatic compounds is an attractive route to the corresponding carboxylic acids, but remains challenging under mild conditions. It has been proposed that the first step in anaerobic microbial degradation of recalcitrant aromatic compounds is a UbiD-mediated carboxylation. In this study, we use the UbiD enzyme ferulic acid decarboxylase (Fdc) in combination with a carboxylic acid reductase to create aromatic degradation-inspired cascade reactions, leading to efficient functionalization of styrene through CO fixation. We reveal that rational structure-guided laboratory evolution can expand the substrate scope of Fdc, resulting in activity on a range of mono- and bicyclic aromatic compounds through a single mutation. Selected variants demonstrated 150-fold improvement in the conversion of coumarillic acid to benzofuran + CO and unlocked reactivity towards naphthoic acid. Our data demonstrate that UbiD-mediated C-H activation is a versatile tool for the transformation of aryl/alkene compounds and CO into commodity chemicals.
PubMed: 32719558
DOI: 10.1038/s41589-020-0603-0
主引用文献が同じPDBエントリー
実験手法
X-RAY DIFFRACTION (1.12 Å)
構造検証レポート
Validation report summary of 6tij
検証レポート(詳細版)ダウンロードをダウンロード

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件を2024-10-30に公開中

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