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Chin. Phys. B, 2016, Vol. 25(4): 048701    DOI: 10.1088/1674-1056/25/4/048701

X-ray absorption near-edge structure study on the configuration of Cu2+/histidine complexes at different pH values

Mei-Juan Yu(于梅娟)1, Yu Wang(王宇)2, Wei Xu(徐伟)1
1 Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049, China;
2 Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201204, China
Abstract  The local configurations around metal ions in metalloproteins are of great significance for understanding their biological functions. Cu2+/histidine (His) is a typical complex existing in many metalloproteins and plays an important role in lots of physiological functions. The three-dimensional (3D) structural configurations of Cu2+/His complexes at different pH values (2.5, 6.5, and 8.5) are quantitatively determined by x-ray absorption near-edge structure (XANES). Generally Cu2+/His complex keeps an octahedral configuration consisting of oxygen atoms from water molecules and oxygen or nitrogen atoms from histidine molecules coordinated around Cu2+. It is proved in this work that the oxygen atoms from water molecules, when increasing the pH value from acid to basic value, are gradually substituted by the Ocarboxyl, Nam, and Nim from hisitidine molecules. Furthermore, the symmetries of Cu2+/His complexes at pH 6.5 and pH 8.5 are found to be lower than at pH 2.5.
Keywords:  x-ray absorption near-edge structure      Cu2+/His      pH values      configuration  
Received:  13 November 2015      Revised:  14 December 2015      Accepted manuscript online: 
PACS:  87.64.kd (X-ray and EXAFS)  
  61.05.cj (X-ray absorption spectroscopy: EXAFS, NEXAFS, XANES, etc.)  
Fund: Project supported by the National Natural Science Foundation of China (Grant No. 11205186).
Corresponding Authors:  Mei-Juan Yu     E-mail:

Cite this article: 

Mei-Juan Yu(于梅娟), Yu Wang(王宇), Wei Xu(徐伟) X-ray absorption near-edge structure study on the configuration of Cu2+/histidine complexes at different pH values 2016 Chin. Phys. B 25 048701

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