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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; Zhao HF(赵海峰); Chu SQ(储胜启)
2017
Source PublicationRADIATION PHYSICS AND CHEMISTRY
ISSN0969-806X
Volume137Pages:88-92
SubtypeArticle; Proceedings Paper
AbstractCopper/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.
Conference Title13th International Symposium on Radiation Physics (ISRP)
Conference PlaceUniv Sci & Technol China, Beijing, PEOPLES R CHINA
Conference DateSEP 07-11, 2015
KeywordCopper/zinc superoxide dismutase BioXAS Metalloprotein MXAN
DOI10.1016/j.radphyschem.2016.03.003
WOS KeywordX-RAY-ABSORPTION ; AMYOTROPHIC-LATERAL-SCLEROSIS ; IRON-MOLYBDENUM COFACTOR ; NEAR-EDGE STRUCTURE ; K-EDGE ; SPECTRA ; SPECTROSCOPY ; NITROGENASE ; IFEFFIT
Indexed BySCI ; EI ; CPCI ; SCOPUS ; ADS
Language英语
WOS Research AreaChemistry ; Nuclear Science & Technology ; Physics
WOS SubjectChemistry, Physical ; Nuclear Science & Technology ; Physics, Atomic, Molecular & Chemical
WOS IDWOS:000404201800018
EI Accession Number20161102083613
EI KeywordsCalculations - Enzymes - Free radicals - Metal ions - Molecules - X ray absorption
EI Classification Number531.1 Metallurgy - 711 Electromagnetic Waves - 921 Mathematics - 931.3 Atomic and Molecular Physics
ADS Bibcode2017RaPC..137...88W
ADS URLhttps://ui.adsabs.harvard.edu/abs/2017RaPC..137...88W
ADS CITATIONShttps://ui.adsabs.harvard.edu/abs/2017RaPC..137...88W/citations
Citation statistics
Cited Times:0 [ADS]
Document Type期刊论文
Identifierhttp://ir.ihep.ac.cn/handle/311005/284924
Collection多学科研究中心
粒子天体物理中心
Affiliation中国科学院高能物理研究所
First Author AffilicationInstitute of High Energy
Recommended Citation
GB/T 7714
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.,...&储胜启.(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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