Expanded analyses of the functional correlations within structural classifications of glycoside hydrolases,Computational and Structural Biotechnology Journal

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Expanded analyses of the functional correlations within structural classifications of glycoside hydrolases
Computational and Structural Biotechnology Journal ( IF 4.4 ) Pub Date : 2021-11-02 , DOI: 10.1016/j.csbj.2021.10.039
Dan-Dan Li ₁ , Jin-Lan Wang ₂ , Ya Liu ₁ , Yue-Zhong Li ₁ , Zheng Zhang _{1,

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Affiliation

Glycoside hydrolases (GHs) are greatly diverse in sequences and functions, but systematic studies of GH relationships based on structural information are lacking. Here, we report that GHs have multiple evolutionary origins and are structurally derived from 27 homologous superfamilies and 16 folds, but GHs are highly biased to distribute in a few superfamilies and folds. Six of these superfamilies are widely encoded by archaea, bacteria, and eukaryotes, indicating that they may be the most ancient in origin. Most superfamilies vary in enzyme function, and some, such as the superfamilies of (β/α)-barrel and (α/α)-barrel structures, exhibit extreme functional diversity; this is highly positively correlated with sequence diversity. More than one-third of glycosidase activities show a phenomenon of convergent evolution, especially the degradation functions of GHs on polysaccharides. The GHs of most superfamilies have relatively narrow environmental distributions, normally with the highest abundance in host-associated environments and a distribution preference for moderate low-temperature and acidic environments. Overall, our expanded analysis facilitates an understanding of complex GH sequence–structure–function relationships and may guide our screening and engineering of GHs.

中文翻译：

糖苷水解酶结构分类中功能相关性的扩展分析

糖苷水解酶 (GH) 在序列和功能上差异很大，但缺乏基于结构信息的 GH 关系的系统研究。在这里，我们报告 GH 具有多个进化起源，并且在结构上源自 27 个同源超科和 16 个折叠，但 GH 高度偏向分布在少数几个超科和折叠中。其中六个超科广泛由古细菌、细菌和真核生物编码，表明它们可能是起源最古老的。大多数超家族的酶功能各不相同，有些超家族，例如(β/α)-桶和(α/α)-桶结构的超家族，表现出极大的功能多样性；这与序列多样性高度正相关。超过三分之一的糖苷酶活性表现出趋同进化的现象，尤其是GHs对多糖的降解功能。大多数超科的GH具有相对狭窄的环境分布，通常在宿主相关环境中丰度最高，并偏好中低温和酸性环境的分布。总的来说，我们的扩展分析有助于理解复杂的 GH 序列-结构-功能关系，并可能指导我们对 GH 的筛选和工程设计。

更新日期：2021-11-02

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