How water molecules affect the catalytic activity of hydrolases - A XANES study of the local structures of peptide deformylase

CAS OpenIR > 中科院上海应用物理研究所2011-2020年

	How water molecules affect the catalytic activity of hydrolases - A XANES study of the local structures of peptide deformylase
	Cui, PX; Wang, Y; Chu, WS; Guo, XY; Yang, FF; Yu, MJ; Zhao, HF; Dong, YH; Xie, YN; Gong, WM; Wu, ZY; chuws@ustc.edu.cn; wgong@sun5.ibp.ac.cn; wuzy@ustc.edu.cn
	2014
Source Publication	SCIENTIFIC REPORTS
ISSN	2045-2322
Volume	4
Abstract	Peptide deformylase (PDF) is a prokaryotic enzyme that catalyzes the deformylation of nascent peptides generated during protein synthesis and water molecules play a key role in these hydrolases. Using X-ray absorption near edge spectroscopy (XANES) and ab initio calculations we accurately probe the local atomic environment of the metal ion binding in the active site of PDF at different pHvalues and with different metal ions. This new approach is an effective way to monitor existing correlations among functions and structural changes. We show for the first time that the enzymatic activity depends on pH values and metal ions via the bond length of the nearest coordinating water (Wat1) to the metal ion. Combining experimental and theoretical data we may claim that PDF exhibits an enhanced enzymatic activity only when the distance of the Wat1 molecule with the metal ion falls in the limited range from 2.15 to 2.55 angstrom.
Keyword	X-ray-absorption Bacterium Leptospira-interrogans Iron-molybdenum Cofactor Escherichia-coli k Edges Spectra Protein Metal Spectroscopy Insight
Indexed By	SCI
Language	英语
WOS ID	WOS:000346300500006
Citation statistics	Cited Times:6[WOS] [WOS Record] [Related Records in WOS]
Document Type	期刊论文
Identifier	http://ir.sinap.ac.cn/handle/331007/14177
Collection	中科院上海应用物理研究所2011-2020年
Corresponding Author	chuws@ustc.edu.cn; wgong@sun5.ibp.ac.cn; wuzy@ustc.edu.cn
Recommended Citation GB/T 7714	Cui, PX,Wang, Y,Chu, WS,et al. How water molecules affect the catalytic activity of hydrolases - A XANES study of the local structures of peptide deformylase[J]. SCIENTIFIC REPORTS,2014,4.
APA	Cui, PX.,Wang, Y.,Chu, WS.,Guo, XY.,Yang, FF.,...&wuzy@ustc.edu.cn.(2014).How water molecules affect the catalytic activity of hydrolases - A XANES study of the local structures of peptide deformylase.SCIENTIFIC REPORTS,4.
MLA	Cui, PX,et al."How water molecules affect the catalytic activity of hydrolases - A XANES study of the local structures of peptide deformylase".SCIENTIFIC REPORTS 4(2014).

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