Crystal structure of DszC from Rhodococcus sp. XP at 1.79 angstrom
文献类型：期刊论文
| 作者 | Liu, SH; Zhang, CG; Su, TT; Wei, TD; Zhu, DY; Wang, K; Huang, Y; Dong, YH; Yin, K; Xu, SJ |
| 刊名 | PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS
 |
| 出版日期 | 2014 |
| 卷号 | 82期号:9页码:1708-1720 |
| 关键词 | desulfurization "4S" pathway monooxygenase dibenzothiophene molecular docking |
| 英文摘要 | The dibenzothiophene (DBT) monooxygenase DszC, which is the key initiating enzyme in "4S" metabolic pathway, catalyzes sequential sulphoxidation reaction of DBT to DBT sulfoxide (DBTO), then DBT sulfone (DBTO2). Here, we report the crystal structure of DszC from Rhodococcus sp. XP at 1.79 angstrom. Intriguingly, two distinct conformations occur in the flexible lid loops adjacent to the active site (residue 280-295, between alpha 9 and alpha 10). They are named "open" and "closed" state respectively, and might show the status of the free and ligand-bound DszC. The molecular docking results suggest that the reduced FMN reacts with an oxygen molecule at C4a position of the isoalloxazine ring, producing the C4a-(hydro)peroxyflavin intermediate which is stabilized by H391 and S163. H391 may contribute to the formation of the C4a-(hydro)peroxyflavin by acting as a proton donor to the proximal peroxy oxygen, and it might also be involved in the protonation process of the C4a-(hydro) xyflavin. Site-directed mutagenesis study shows that mutations in the residues involved either in catalysis or in flavin or substrate-binding result in a complete loss of enzyme activity, suggesting that the accurate positions of flavin and substrate are crucial for the enzyme activity. |
| 学科主题 | Biochemistry & Molecular Biology; Biophysics |
| 收录类别 | SCI |
| WOS记录号 | WOS:000340940300003 |
| 公开日期 | 2016-05-03 |
| 源URL | [http://ir.ihep.ac.cn/handle/311005/225318]  |
| 专题 | 高能物理研究所_多学科研究中心 |
| 推荐引用方式 GB/T 7714 | Liu, SH,Zhang, CG,Su, TT,et al. Crystal structure of DszC from Rhodococcus sp. XP at 1.79 angstrom[J]. PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS,2014,82(9):1708-1720. |
| APA | Liu, SH.,Zhang, CG.,Su, TT.,Wei, TD.,Zhu, DY.,...&Gu, LC；董宇辉.(2014).Crystal structure of DszC from Rhodococcus sp. XP at 1.79 angstrom.PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS,82(9),1708-1720. |
| MLA | Liu, SH,et al."Crystal structure of DszC from Rhodococcus sp. XP at 1.79 angstrom".PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS 82.9(2014):1708-1720. |
入库方式： OAI收割
来源：高能物理研究所
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