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牛视紫红质蛋白质中视黄醛的活性位点 被引量:3
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作者 徐四川 邓圣荣 +3 位作者 马丽英 史强 葛茂发 张兴康 《物理化学学报》 SCIE CAS CSCD 北大核心 2009年第7期1290-1296,共7页
视紫红质蛋白是一个跨膜蛋白,视黄醛(RET)在该蛋白中的活性结合位点涉及到视觉过程机理,与一些眼科疾病病理有关.基于牛视紫红质蛋白1U19的蛋白质晶体结构数据,采用密度泛函理论的B3LYP方法计算RET-Lys296残基与视黄醛分子周围半径为0.... 视紫红质蛋白是一个跨膜蛋白,视黄醛(RET)在该蛋白中的活性结合位点涉及到视觉过程机理,与一些眼科疾病病理有关.基于牛视紫红质蛋白1U19的蛋白质晶体结构数据,采用密度泛函理论的B3LYP方法计算RET-Lys296残基与视黄醛分子周围半径为0.6nm的空间范围30个氨基酸残基相互作用和结合能.数值显示1U19蛋白中的残基Glu113、Glu181和Glu122是质子化的RET-Lys296残基的活性结合位点,结合能分别为-333.38、-205.67和-194.56kJ·mol-1.这些氨基酸残基带有一个负电荷,与质子化的RET-Lys296残基发生强烈的离子静电相互作用.另外几个残基Ala292、Cys187、Phe293、Pro291以及Trp265等与质子化RET-Lys296残基也有相互吸引作用.当RET-Lys296残基非质子化,上述相互作用消失,促使视黄醛分子与视蛋白分离.研究发现残基Glu113和Glu181周围各自有一个结晶水分子通过双氢键形式起着稳定作用. 展开更多
关键词 视紫红质 视黄醛 1u19 活性位点 密度泛函理论
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The protein complex crystallography beamline(BL19U1)at the Shanghai Synchrotron Radiation Facility 被引量:11
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作者 Wei-Zhe Zhang Jian-Chao Tang +3 位作者 Si-Sheng Wang Zhi-Jun Wang Wen-Ming Qin Jian-Hua He 《Nuclear Science and Techniques》 SCIE CAS CSCD 2019年第11期30-40,共11页
The protein complex crystallographic beamline BL19U1 at the Shanghai Synchrotron Radiation Facility is one of the five beamlines dedicated to protein sciences operated by National Facility for Protein Science(Shanghai... The protein complex crystallographic beamline BL19U1 at the Shanghai Synchrotron Radiation Facility is one of the five beamlines dedicated to protein sciences operated by National Facility for Protein Science(Shanghai,China).The beamline,which features a small-gap invacuum undulator,has been officially open to users since March 2015.This beamline delivers X-ray in the energy range 7–15 keV.With its high flux,low divergence beam and a large active area detector,BL19U1 is designed for proteins with large molecular weight and large crystallographic unit cell dimensions.Good performance and stable operation of the beamline have allowed the number of Protein Data Bank(PDB)depositions and the number of articles published based on data collected at this beamline to increase steadily.To date,over 300 research groups have collected data at the beamline.More than 600 PDB entries have been deposited at the PDB(www.pdb.org).More than 300 papers have been published that include data collected at the beamline,including 21 research articles published in the top-level journals Cell,Nature,and Science. 展开更多
关键词 MX BEAMLINES Macromolecular CRYSTALLOGRAPHY Shanghai SYNCHROTRON Radiation Facility SSRF-BL19U1
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