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Local structure investigation of the active site of the imidazolonepropionase from Bacillus subtilis by XANES spectroscopy and ab initio calculations
Yang FF(杨飞飞); Chu WS(储旺盛); Yu MJ(于梅娟); Wang Y(王宇); Dong YH(董宇辉); 吴自玉Yang, FF; Chu, WS; Yu, MJ; Wang, Y; Ma, SX; Dong, YH; Wu, ZY
2008
发表期刊JOURNAL OF SYNCHROTRON RADIATION
卷号15期号:2页码:#REF!
通讯作者Wu, ZY (reprint author), Chinese Acad Sci, Inst High Energy Phys, Beijing 100049, Peoples R China.
摘要Imidazolonepropionase is an important enzyme that plays a crucial role in the degradation of the histidine in mammals and bacteria. In this contribution a detailed structural investigation is presented of the imidazolonepropionase from Bacillus subtilis at the zinc site by X-ray absorption near-edge structure (XANES) spectroscopy combining experimental data with ab initio calculation in the framework of the multiple-scattering theory. The resolved local structure leads to a modification of the data set in the Protein Data Bank (PDB) (PDB code 2BB0). Actually, data suggest that the carboxyl of the Asp324 moves far away from the zinc ion at the center, while the water molecule and the nearest-neighbor histidines move towards it. This new conformation and the occurrence of a short water-to-zinc bond length support the nucleophilic attack catalytic mechanism proposed for this enzyme. (C) 2008 International Union of Crystallography.
文章类型Article
关键词imidazolonepropionase catalysis XANES zinc
学科领域Instruments & Instrumentation; Optics; Physics
DOI10.1107/S0909049507064126
收录类别SCI
WOS类目Instruments & Instrumentation ; Optics ; Physics, Applied
WOS记录号WOS:000253244100002
引用统计
被引频次:7[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://ir.ihep.ac.cn/handle/311005/226375
专题多学科研究中心
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GB/T 7714
Yang FF,Chu WS,Yu MJ,et al. Local structure investigation of the active site of the imidazolonepropionase from Bacillus subtilis by XANES spectroscopy and ab initio calculations[J]. JOURNAL OF SYNCHROTRON RADIATION,2008,15(2):#REF!.
APA 杨飞飞.,储旺盛.,于梅娟.,王宇.,董宇辉.,...&Wu, ZY.(2008).Local structure investigation of the active site of the imidazolonepropionase from Bacillus subtilis by XANES spectroscopy and ab initio calculations.JOURNAL OF SYNCHROTRON RADIATION,15(2),#REF!.
MLA 杨飞飞,et al."Local structure investigation of the active site of the imidazolonepropionase from Bacillus subtilis by XANES spectroscopy and ab initio calculations".JOURNAL OF SYNCHROTRON RADIATION 15.2(2008):#REF!.
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