کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
8329173 | 1540209 | 2018 | 29 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Anion-Ï interactions in active centers of superoxide dismutases
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کلمات کلیدی
موضوعات مرتبط
علوم زیستی و بیوفناوری
بیوشیمی، ژنتیک و زیست شناسی مولکولی
زیست شیمی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
We investigated 1060 possible anion-Ï interactions in a data set of 41 superoxide dismutase active centers. Our observations indicate that majority of the aromatic residues are capable to form anion-Ï interactions, mainly by long-range contacts, and that there is preference of Trp over other aromatic residues in these interactions. Furthermore, 68% of total predicted interactions in the dataset are multiple anion-Ï interactions. Anion-Ï interactions are distance and orientation dependent. We analyzed the energy contribution resulting from anion-Ï interactions using ab initio calculations. The results showed that, while most of their interaction energies lay in the range from â0 to â4 kcal molâ1, those energies can be up to â9 kcal molâ1 and about 34% of interactions were found to be repulsive. Majority of the suggested anion-Ï interacting residues in ternary complexes are metal-assisted. Stabilization centers for these proteins showed that all the six residues found in predicted anion-Ï interactions are important in locating one or more of such centers. The anion-Ï interacting residues in these proteins were found to be highly conserved. We hope that these studies might contribute useful information regarding structural stability and its interaction in future designs of novel metalloproteins.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: International Journal of Biological Macromolecules - Volume 106, January 2018, Pages 559-568
Journal: International Journal of Biological Macromolecules - Volume 106, January 2018, Pages 559-568
نویسندگان
Vesna R. RibiÄ, SrÄan Ä. StojanoviÄ, Mario V. ZlatoviÄ,