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首页> 外文期刊>Acta crystallographica, Section D. Biological crystallography >Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications
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Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications

机译：结核分枝杆菌尿嘧啶DNA糖基化酶（MtUng）中的结构可塑性及其功能含义

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摘要

17 independent crystal structures of family I uracil-DNA glycosylase from Mycobacterium tuberculosis (MtUng) and its complexes with uracil and its derivatives, distributed among five distinct crystal forms, have been determined. Thermodynamic parameters of binding in the complexes have been measured using isothermal titration calorimetry. The two-domain protein exhibits open and closed conformations, suggesting that the closure of the domain on DNA binding involves conformational selection. Segmental mobility in the enzyme molecule is confined to a 32-residue stretch which plays a major role in DNA binding. Uracil and its derivatives can bind to the protein in two possible orientations. Only one of them is possible when there is a bulky substituent at the 50 position. The crystal structures of the complexes provide a reasonable rationale for the observed thermodynamic parameters. In addition to providing fresh insights into the structure, plasticity and interactions of the protein molecule, the results of the present investigation provide a platform for structure-based inhibitor design.
机译：已经确定了来自结核分枝杆菌（MtUng）的家族I尿嘧啶-DNA糖基化酶的17个独立晶体结构及其与尿嘧啶及其衍生物的复合物，分布在五个不同的晶体形式中。配合物中结合的热力学参数已使用等温滴定热法测定。该两个域的蛋白质表现出开放和封闭的构象，表明在DNA结合上域的封闭涉及构象选择。酶分子中的节段迁移率仅限于32个残基的片段，该片段在DNA结合中起主要作用。尿嘧啶及其衍生物可以两种可能的方向与蛋白质结合。当在50位上有庞大的取代基时，只有其中一种是可能的。配合物的晶体结构为观察到的热力学参数提供了合理的理由。除了提供有关蛋白质分子的结构，可塑性和相互作用的新鲜见解之外，本研究的结果还提供了基于结构的抑制剂设计的平台。

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