pH-dependent absorption spectra of rhodopsin mutant E113Q: On the role of counterions and protein

doi:10.1016/j.saa.2016.11.015

	pH-dependent absorption spectra of rhodopsin mutant E113Q: On the role of counterions and protein
	Alsaedi, Ahmed 2; Xie, Peng 1; Zhou, Panwang 1; Zhang, Yan 1
刊名	SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
	2017-03-05
卷号	174 页码:25-31
关键词	Spectra Tuning Qm/mm E113q Rhodopsin Hydrogen-bond Anion Biosensor
ISSN号	1386-1425
DOI	10.1016/j.saa.2016.11.015
文献子类	Article
英文摘要	The absorption spectra of bovine rhodopsin mutant E113Q in solutions were investigated at the molecular level by using a hybrid quantum mechanics/molecular mechanics (QM/MM) method. The calculations suggest the mechanism of the absorption variations of E113Q at different pH values. The results indicate that the polarizations of the counterions in the vicinity of Schiff base under protonation and unprotonation states of the mutant E113Q would be a crucial factor to change the energy gap of the retinal to tune the absorption spectra. Glu-181 residue, which is close to the chromophore, cannot serve as the counterion of the protonated Schiff base of E113Q in dark state. Moreover, the results of the absorption maximum in mutant E113Q with the various anions (Cl-, Br-, I- and NO3-) manifested that the mutant E113Q could have the potential for use as a template of anion biosensors at visible wavelength. (C) 2016 Elsevier B.V. All rights reserved.
WOS关键词	COUPLED-RECEPTOR RHODOPSIN ; RETINAL CHROMOPHORE ; BOVINE RHODOPSIN ; VISUAL PIGMENTS ; ENERGY-STORAGE ; GLUTAMIC-ACID ; FORCE-FIELDS ; THEORY LEVEL ; SCHIFF-BASE ; STATE
WOS研究方向	Spectroscopy
语种	英语
出版者	PERGAMON-ELSEVIER SCIENCE LTD
WOS记录号	WOS:000393628500004
内容类型	期刊论文
源URL	[http://cas-ir.dicp.ac.cn/handle/321008/169644]
专题	大连化学物理研究所_中国科学院大连化学物理研究所
通讯作者	Zhang, Yan
作者单位	1.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Liaoning, Peoples R China 2.King Abdulaziz Univ, Nonlinear Anal & Appl Math NAAM Res Grp, Dept Math, Fac Sci, Jeddah 21589, Saudi Arabia
推荐引用方式 GB/T 7714	Alsaedi, Ahmed,Xie, Peng,Zhou, Panwang,et al. pH-dependent absorption spectra of rhodopsin mutant E113Q: On the role of counterions and protein[J]. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,2017,174:25-31.
APA	Alsaedi, Ahmed,Xie, Peng,Zhou, Panwang,&Zhang, Yan.(2017).pH-dependent absorption spectra of rhodopsin mutant E113Q: On the role of counterions and protein.SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,174,25-31.
MLA	Alsaedi, Ahmed,et al."pH-dependent absorption spectra of rhodopsin mutant E113Q: On the role of counterions and protein".SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY 174(2017):25-31.