Density Functional Theory Study on Metal-Binding Energies for Human Serum Transferrin-Metal Complexes
Joint Authors
Sakajiri, Tetsuya
Yamamura, Takaki
Yajima, Hirofumi
Source
Issue
Vol. 2012, Issue 2012 (31 Dec. 2012), pp.1-5, 5 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2012-03-14
Country of Publication
Egypt
No. of Pages
5
Main Subjects
Abstract EN
The absolute values of the metal-binding energies of human serum transferrin (Tf) N-lobe, |ΔE|, were calculated using the density functional theory and were found to increase in magnitude in the following order: Fe(III)>Ga(III)>Al(III)>Cu(II)>Zn(II)>Ni(II).
The calculated energies were well correlated with the logarithmic values of the reported metal-binding constants of Tf, which had been experimentally determined, with a correlation coefficient of 0.96.
In the estimation of the binding energies, the solvation energies (solvent effect) of free metal ions were a very important factor.
The results provide a theoretical explanation for the binding of Fe(III) to Tf, which produces sufficient energy to induce a conformational transition of the Tf molecule, making it possible to interact with Tf receptor 1.
American Psychological Association (APA)
Sakajiri, Tetsuya& Yajima, Hirofumi& Yamamura, Takaki. 2012. Density Functional Theory Study on Metal-Binding Energies for Human Serum Transferrin-Metal Complexes. ISRN Biophysics،Vol. 2012, no. 2012, pp.1-5.
https://search.emarefa.net/detail/BIM-447532
Modern Language Association (MLA)
Sakajiri, Tetsuya…[et al.]. Density Functional Theory Study on Metal-Binding Energies for Human Serum Transferrin-Metal Complexes. ISRN Biophysics No. 2012 (2012), pp.1-5.
https://search.emarefa.net/detail/BIM-447532
American Medical Association (AMA)
Sakajiri, Tetsuya& Yajima, Hirofumi& Yamamura, Takaki. Density Functional Theory Study on Metal-Binding Energies for Human Serum Transferrin-Metal Complexes. ISRN Biophysics. 2012. Vol. 2012, no. 2012, pp.1-5.
https://search.emarefa.net/detail/BIM-447532
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-447532