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No.19 (1976/3) >

Title :The Interaction Energy Calculation Between Heme Group and Globin. I. Oxyhemoglobin
Authors :Arata, Yasuhide
Authors alternative :新田, 保秀
Issue Date :Mar-1976
Abstract :The van der Waals interaction energies and the electrostatic interaction energies between heme group and globin are calculated on the basis of the atomic coordinates of oxyhemoglobin. The results of the calculation leads to the following conclusion. The electrostatic interaction energy originated in the partial charges on all constituent atoms of hemoglobin molecule and the hydrogen bond energy are negligibly small compare with the van der Waals interaction energy. Therefore the heme groups are stabilized by the van der Waals interaction and the partial covalent bond between Fe atom and Ne atom of the proximal histidine. If the energies of the partial covalent bonds are assumed to be same both in α and β chain, the heme group in α chain is more stabilized than in β chain by about 10 kcal/mole which is originated in the van der Waals interaction.
Type Local :紀要論文
ISSN :0386-5746
Publisher :琉球大学教育学部
URI :http://hdl.handle.net/20.500.12000/15467
Citation :琉球大学教育学部紀要 第二部 no.19 p.87 -91
Appears in Collections:No.19 (1976/3)

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