By properly engineering the first and second coordination sphere, an artificial type 3 di-copper polyphenol oxidase was obtained. Shaping the active site accessibility, the four-helix bundle di-copper DR1 was endowed with enzyme-like substrate selectivity. DFT computations and experimental investigations showed the key role of the residues lining the active site pocket in tuning substrate recognition by weak interactions.

中文翻译：

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一种从头设计的 3 型铜蛋白调节儿茶酚底物识别和反应性

通过适当设计第一和第二配位球，获得了人工 3 型二铜多酚氧化酶。塑造活性位点的可及性，四螺旋束双铜 DR1 被赋予了类似酶的底物选择性。DFT 计算和实验研究表明，活性位点袋中的残基在通过弱相互作用调节底物识别中起着关键作用。