Computational investigations of selected enzymes from two iron and α-ketoglutarate-dependent families.
Computational investigations of selected enzymes from two iron and α-ketoglutarate-dependent families.
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DOI：
10.1039/d1cp03800a
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发表时间：
2021-10-13
期刊：
影响因子：
--
通讯作者：
Cisneros GA
中科院分区：
文献类型：
--
作者：
Berger MB;Walker AR;Vázquez-Montelongo EA;Cisneros GA
DNA烷基化是真核生物中重要的表观遗传标记，然而，DNA烷基化大多数会导致有害效应。因此，这一过程需要严格监管。AlkB和10 - 11易位（泰特）家族的酶是Fe和α-酮戊二酸依赖性酶超家族的成员，其任务是使细胞中的DNA和RNA脱烷基化。这些家族的成员跨越所有物种，是转录调控的组成部分。虽然这两个家族都催化各种碱的氧化脱烷基化，但每个家族都对烷基化碱类型具有特定的偏好以及不同的催化机制。这个观点的目的是提供一个概述的计算工作进行调查这些酶家族的几个成员，包括AlkB，ALKB同源2，ALKB同源3和10 - 11易位2。深入了解结构细节，诱变研究，反应路径分析，电子结构特征的活性位点，和底物的偏好介绍和讨论。
DNA alkylation is used as the key epigenetic mark in eukaryotes, however, most alkylation in DNA can result in deleterious effects. Therefore, this process needs to be tightly regulated. The enzymes of the AlkB and Ten-Eleven Translocation (TET) families are members of the Fe and alpha-ketoglutarate-dependent superfamily of enzymes that are tasked with dealkylating DNA and RNA in cells. Members of these families span all species and are an integral part of transcriptional regulation. While both families catalyze oxidative dealkylation of various bases, each has specific preference for alkylated base type as well as distinct catalytic mechanisms. This perspective aims to provide an overview of computational work carried out to investigate several members of these enzyme families including AlkB, ALKB Homolog 2, ALKB Homolog 3 and Ten-Eleven Translocate 2. Insights into structural details, mutagenesis studies, reaction path analysis, electronic structure features in the active site, and substrate preferences are presented and discussed.
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影响因子：
4.1
作者：
Chen F;Tang Q;Bian K;Humulock ZT;Yang X;Jost M;Drennan CL;Essigmann JM;Li D
通讯作者：
Li D
DOI：
10.1007/s12539-010-0092-z
发表时间：
2010-03-01
影响因子：
4.8
作者：
Cisneros, G. Andres
通讯作者：
Cisneros, G. Andres
影响因子：
5.5
作者：
Fang, Dong;Cisneros, G. Andres
通讯作者：
Cisneros, G. Andres
DOI：
10.1073/pnas.0403489101
发表时间：
2004-09-28
影响因子：
11.1
作者：
Delaney, JC;Essigmann, JM
通讯作者：
Essigmann, JM
影响因子：
4.3
作者：
Borowski, T;Bassan, A;Siegbahn, PEM
通讯作者：
Siegbahn, PEM