Calculated Mechanism of Cyanobacterial Aldehyde-Deformylating Oxygenase: Asymmetric Aldehyde Activation by a Symmetric Diiron Cofactor
文献类型：期刊论文
| 作者 | Wang, Chao1,2; Zhao, Chongyang1,2; Hu, Lianrui1,2; Chen, Hui1 |
| 刊名 | JOURNAL OF PHYSICAL CHEMISTRY LETTERS
 |
| 出版日期 | 2016-11-03 |
| 卷号 | 7期号:21页码:4427-4432 |
| 英文摘要 | Cyanobacterial aldehyde-deformylating oxygenase (cADO) is a nonheme diiron enzyme that catalyzes the conversion of aldehyde to alk(a/e)ne, an important transformation in biofuel research. In this work, we report a highly desired computational study for probing the mechanism of cADO. By combining our QM/MM results with the available Fe-57 Mossbauer spectroscopic data, the gained detailed structural information suggests construction of asymmetry from the symmetric diiron cofactor in an aldehyde substrate and O-2 activation. His(160), one of the two iron-coordinate histidine residues in cADO, plays a pivotal role in this asymmetric aldehyde activation process by unprecedented reversible dissociation from the diiron cofactor, a behavior unknown in any other nonheme dinuclear or mononuclear enzymes. The revealed intrinsically asymmetric interactions of the substrate/O-2 with the symmetric cofactor in cADO are inspirational for exploring diiron subsite resolution in other nonheme diiron enzymes. |
| 收录类别 | SCI |
| 语种 | 英语 |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/35123]  |
| 专题 | 化学研究所_光化学实验室 |
| 作者单位 | 1.Chinese Acad Sci, CAS Key Lab Photochem, Inst Chem, BNLMS, Beijing 100190, Peoples R China 2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China |
| 推荐引用方式 GB/T 7714 | Wang, Chao,Zhao, Chongyang,Hu, Lianrui,et al. Calculated Mechanism of Cyanobacterial Aldehyde-Deformylating Oxygenase: Asymmetric Aldehyde Activation by a Symmetric Diiron Cofactor[J]. JOURNAL OF PHYSICAL CHEMISTRY LETTERS,2016,7(21):4427-4432. |
| APA | Wang, Chao,Zhao, Chongyang,Hu, Lianrui,&Chen, Hui.(2016).Calculated Mechanism of Cyanobacterial Aldehyde-Deformylating Oxygenase: Asymmetric Aldehyde Activation by a Symmetric Diiron Cofactor.JOURNAL OF PHYSICAL CHEMISTRY LETTERS,7(21),4427-4432. |
| MLA | Wang, Chao,et al."Calculated Mechanism of Cyanobacterial Aldehyde-Deformylating Oxygenase: Asymmetric Aldehyde Activation by a Symmetric Diiron Cofactor".JOURNAL OF PHYSICAL CHEMISTRY LETTERS 7.21(2016):4427-4432. |
入库方式： OAI收割
来源：化学研究所
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