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MAB_4123 的晶体结构,一种来自脓肿分枝杆菌的假定黄素依赖单加氧酶。

Crystal structure of MAB_4123, a putative flavin-dependent monooxygenase from Mycobacterium abscessus.

机构信息

Institut de Recherche en Infectiologie de Montpellier, Centre Nationale de la Recherche Scientifique, 34293 Montpellier, France.

出版信息

Acta Crystallogr F Struct Biol Commun. 2023 May 1;79(Pt 5):128-136. doi: 10.1107/S2053230X2300345X. Epub 2023 May 3.

Abstract

Numerous bacteria from different phylae can perform desulfurization reactions of organosulfur compounds. In these degradation or detoxification pathways, two-component flavin-dependent monooxygenases that use flavins (FMN or FAD) as a cofactor play important roles as they catalyse the first steps of these metabolic routes. The TdsC or DszC and MsuC proteins belong to this class of enzymes as they process dibenzothiophene (DBT) and methanesulfinate. Elucidation of their X-ray structures in apo, ligand-bound and cofactor-bound forms has provided important molecular insights into their catalytic reaction. Mycobacterial species have also been shown to possess a DBT degradation pathway, but no structural information is available on these two-component flavin-dependent monooxygenases. In this study, the crystal structure of the uncharacterized MAB_4123 protein from the human pathogen Mycobacterium abscessus is presented. The structure solved at high resolution displays high similarity to homologs from Rhodococcus, Paenibacillus and Pseudomonas species. In silico docking approaches suggest that MAB_4123 binds FMN and may use it as a cofactor. Structural analysis strongly suggests that MAB_4123 is a two-component flavin-dependent monooxygenase that could act as a detoxifying enzyme of organosulfur compounds in mycobacteria.

摘要

许多来自不同门的细菌都能进行有机硫化合物的脱硫反应。在这些降解或解毒途径中,双组分黄素依赖型单加氧酶起着重要作用,它们使用黄素(FMN 或 FAD)作为辅因子,催化这些代谢途径的第一步。TdsC 或 DszC 和 MsuC 蛋白属于这一类酶,因为它们可以处理二苯并噻吩(DBT)和甲亚磺酸盐。阐明它们在 apo、配体结合和辅因子结合形式下的 X 射线结构,为它们的催化反应提供了重要的分子见解。分枝杆菌物种也被证明具有 DBT 降解途径,但这些双组分黄素依赖型单加氧酶没有结构信息。在这项研究中,呈现了来自人类病原体脓肿分枝杆菌的未表征 MAB_4123 蛋白的晶体结构。在高分辨率下解决的结构显示出与来自 Rhodococcus、Paenibacillus 和 Pseudomonas 物种的同源物的高度相似性。计算机对接方法表明,MAB_4123 结合 FMN 并可能将其用作辅因子。结构分析强烈表明,MAB_4123 是一种双组分黄素依赖型单加氧酶,可作为分枝杆菌中有机硫化合物的解毒酶。

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