Paper Information

Journal:   INTERNATIONAL JOURNAL OF INDUSTRIAL CHEMISTRY (IJIC)   DECEMBER 2010 , Volume 1 , Number 1; Page(s) 39 To 45.
 
Paper: 

DENSITY FUNCTIONAL THEORY OF CA2+ AND TROPONIN C (TNC)

 
 
Author(s):  RAOUF M., MAHDAVIAN L.*
 
* DEPARTMENT OF CHEMISTRY, ISLAMIC AZAD UNIVERSITY, DOROUD BRANCH, DOROUD. IRAN
 
Abstract: 

In this research, the effects of Ca2+ on TnC (Troponin C) are investigated. TnC controls the calcium in muscle contraction and is the Ca2+-binding subunit of the troponin complex. The nanosecond mobility domain presents in solution, as determined by QM/MM of Charmm (Chemistry at Harvard Molecular Mechanics) program, is fully calculated in fibers. The orientation analysis revealed a bimodal orientation distribution of TnC in the presence and absence Ca2+. Thermodynamic properties are calculated for this orientation (TnC and Ca2+) and the Ca2+ interaction with NH2 and COOH terminals of troponin C, the impact of lactic acid concentration on Ca2+ from its sites on troponin C are studied, and the effect of temperature increase on the interaction.

 
Keyword(s): CA2+ ION, LACTIC ACID, QM/MM METHODS, TNC (TROPONIN C)
 
References: 
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