Density Functional Theory Of Ca2+ And Troponin C (Tnc)

International Journal of Industrial Chemistry

دوره 1، شماره 1، اسفند 2010، صفحه 39-45   

نوع مقاله: research article

نویسندگان

Mahmoud Raouf¹؛ Leila Mahdavian^{* 2}

¹Department of Physical Education, Islamic Azad University, Doroud Branch, P.O. Box: 133, Doroud. Iran.

²Department of Chemistry, Islamic Azad University, Doroud Branch, P.O. Box: 133, Doroud. Iran

چکیده

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.

کلیدواژه‌ها

CA2+ ION؛ LACTIC ACID؛ QM/MM METHODS؛ TNC (TROPONIN C)