Stereostructural Elucidation of Glucose Phosphorylation by Raman Optical Activity

doi:10.1021/acs.jpcb.9b05968

	Stereostructural Elucidation of Glucose Phosphorylation by Raman Optical Activity
	Tang, Yuxuan 1,2; Cheng, Feng 1; Feng, Zhaochi 1; Jia, Guoqing 1; Li, Can 1
刊名	JOURNAL OF PHYSICAL CHEMISTRY B
	2019-09-19
卷号	123 期号:37 页码:7794-7800
ISSN号	1520-6106
DOI	10.1021/acs.jpcb.9b05968
通讯作者	Jia, Guoqing(gqjia@dicp.ac.cn) ; Li, Can(canli@dicp.ac.cn)
英文摘要	Phosphorylation of glucose is the prime step in sugar metabolism and energy storage. Two key glucose phosphates are involved, that is, glucose 6-phosphate (G6P) and alpha-glucose 1-phosphate (alpha G1P). The chiral conformation of glucose, G6P, and alpha G1P plays an essential role in enzyme-mediated conversions. However, few techniques were able to give a direct view of the conformational changes from glucose to G6P and alpha G1P. Here, Raman optical activity (ROA) was used to elucidate the stereochemical evolution of glucose upon phosphorylation. ROA was found to be extremely sensitive to different phosphorylation sites. A characteristic ROA marker of (+)980 cm(-1) originated from the phosphate group symmetric stretching vibration, is observed for alpha G1P with phosphorylation at chiral C1, while Phosphorylation-induced gauch-gauch (gg)/gauch-trans (gt) rotamer distribution changes no corresponding ROA signal for G6P with phosphorylation at achiral C6 is observed. can be sensitively probed by the sign of the ROA band around 1460 cm(-1). A positive ROA band at 1465 cm(-1) of glucose corresponds to a higher gt ratio, while a negative band at 1455 cm(-1) of G6P suggests a dominant gg population, and the disappearance of this ROA band for alpha G1P indicates a nearly balanced gg/gt distribution. Meanwhile, the phosphorylation at C6 and C1 could cause dramatic reduction of the conformational flexibility of the adjacent C4-OH and C2-OH, respectively. These stereochemical changes revealed by ROA spectra offer a structural basis on the understanding of sugar phosphorylation from the perspective of chirality.
资助项目	National Major Scientific Instruments and Equipment Development Project[21227801] ; National Natural Science Foundation of China[21173213] ; Instrument Developing Project of the Chinese Academy of Sciences
WOS关键词	MOLECULAR-DYNAMICS ; ANOMERIC SPECIFICITY ; ACTIVITY SPECTRA ; SPECTROSCOPY ; SIMULATION ; GLUCOKINASE ; GROMACS ; QUANTUM ; ACID ; RECOGNITION
WOS研究方向	Chemistry
语种	英语
出版者	AMER CHEMICAL SOC
WOS记录号	WOS:000487179700004
资助机构	National Major Scientific Instruments and Equipment Development Project ; National Major Scientific Instruments and Equipment Development Project ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Instrument Developing Project of the Chinese Academy of Sciences ; Instrument Developing Project of the Chinese Academy of Sciences ; National Major Scientific Instruments and Equipment Development Project ; National Major Scientific Instruments and Equipment Development Project ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Instrument Developing Project of the Chinese Academy of Sciences ; Instrument Developing Project of the Chinese Academy of Sciences ; National Major Scientific Instruments and Equipment Development Project ; National Major Scientific Instruments and Equipment Development Project ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Instrument Developing Project of the Chinese Academy of Sciences ; Instrument Developing Project of the Chinese Academy of Sciences ; National Major Scientific Instruments and Equipment Development Project ; National Major Scientific Instruments and Equipment Development Project ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Instrument Developing Project of the Chinese Academy of Sciences ; Instrument Developing Project of the Chinese Academy of Sciences
内容类型	期刊论文
源URL	[http://cas-ir.dicp.ac.cn/handle/321008/172706]
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	Jia, Guoqing; Li, Can
作者单位	1.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Catalysis, Zhongshan Rd 457, Dalian 116023, Peoples R China 2.Univ Chinese Acad Sci, 19A Yuquan Rd, Beijing 100049, Peoples R China
推荐引用方式 GB/T 7714	Tang, Yuxuan,Cheng, Feng,Feng, Zhaochi,et al. Stereostructural Elucidation of Glucose Phosphorylation by Raman Optical Activity[J]. JOURNAL OF PHYSICAL CHEMISTRY B,2019,123(37):7794-7800.
APA	Tang, Yuxuan,Cheng, Feng,Feng, Zhaochi,Jia, Guoqing,&Li, Can.(2019).Stereostructural Elucidation of Glucose Phosphorylation by Raman Optical Activity.JOURNAL OF PHYSICAL CHEMISTRY B,123(37),7794-7800.
MLA	Tang, Yuxuan,et al."Stereostructural Elucidation of Glucose Phosphorylation by Raman Optical Activity".JOURNAL OF PHYSICAL CHEMISTRY B 123.37(2019):7794-7800.