Investigation of the fine structure around the copper site in copper/zinc superoxide dismutase by XANES combined with ab initio calculations
Wang, Y; Jin, S; Li, J; Zhou, J; Zhang, LJ; Wang, JQ; Zhang, S; Wei, XJ; Jiang, Z; Huang, YY; Cui, PX; Zhao, HF; Chu, WS
2017
发表期刊RADIATION PHYSICS AND CHEMISTRY
ISSN0969-806X
卷号137期号:-页码:88-92
文章类型期刊论文
摘要Copper/zinc superoxide dismutase (CuZnSOD) is an important enzyme that plays a crucial role in protecting oxygen-metabolizing cells against harmful effects of superoxide free-radicals. In this work, the three-dimensional local structure around the copper-binding site in pH 7.0 buffer solution was determined using X-ray absorption near-edge spectroscopy (XANES) combined with ab initio calculations in the framework of the multiple-scattering theory performed by MXAN. Extremely accurate bond distances and bond angle information between ligands were returned. The result confirmed that the copper ion binds four conserved His residues and a water molecule in CuZnSOD and prefers a five-coordinated in a distorted square pyramidal geometry. (C) 2016 Elsevier Ltd. All rights reserved.
关键词X-ray-absorption Amyotrophic-lateral-sclerosis Iron-molybdenum Cofactor Near-edge Structure K-edge Spectra Spectroscopy Nitrogenase Ifeffit
DOI10.1016/j.radphyschem.2016.03.003
关键词[WOS]X-RAY-ABSORPTION ; AMYOTROPHIC-LATERAL-SCLEROSIS ; IRON-MOLYBDENUM COFACTOR ; NEAR-EDGE STRUCTURE ; K-EDGE ; SPECTRA ; SPECTROSCOPY ; NITROGENASE ; IFEFFIT
收录类别SCI
语种英语
WOS记录号WOS:000404201800018
引用统计
文献类型期刊论文
条目标识符http://ir.sinap.ac.cn/handle/331007/28710
专题中科院上海应用物理研究所2011-2018年
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Wang, Y,Jin, S,Li, J,et al. Investigation of the fine structure around the copper site in copper/zinc superoxide dismutase by XANES combined with ab initio calculations[J]. RADIATION PHYSICS AND CHEMISTRY,2017,137(-):88-92.
APA Wang, Y.,Jin, S.,Li, J.,Zhou, J.,Zhang, LJ.,...&Chu, WS.(2017).Investigation of the fine structure around the copper site in copper/zinc superoxide dismutase by XANES combined with ab initio calculations.RADIATION PHYSICS AND CHEMISTRY,137(-),88-92.
MLA Wang, Y,et al."Investigation of the fine structure around the copper site in copper/zinc superoxide dismutase by XANES combined with ab initio calculations".RADIATION PHYSICS AND CHEMISTRY 137.-(2017):88-92.
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