کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
10801081 | 1054727 | 2005 | 9 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Internal cavities and ligand passageways in human hemoglobin characterized by molecular dynamics simulations
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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
![عکس صفحه اول مقاله: Internal cavities and ligand passageways in human hemoglobin characterized by molecular dynamics simulations Internal cavities and ligand passageways in human hemoglobin characterized by molecular dynamics simulations](/preview/png/10801081.png)
چکیده انگلیسی
Molecular dynamics simulations of the unliganded T state of human hemoglobin showed the existence of a spontaneous, very wide cavity on the distal side of the α subunit. This cavity consists of three tunnels spreading from the vicinity of the iron atom (the ligand binding site) to the surface of the subunit, constituting possible passageways for the entrance of the ligand. A fourth passageway was characterized due to the trajectory of water molecules entering or leaving the heme pocket. Analogous passages were observed in the β subunits. They all appear and disappear dynamically, although some parts of them are more persistent along the trajectories. The most persistent regions within these tunnels correspond to all the xenon docking sites of human cytoglobin and to some of those of sperm whale and horse heart myoglobins and group I truncated hemoglobins.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Biochimica et Biophysica Acta (BBA) - General Subjects - Volume 1724, Issue 3, 5 August 2005, Pages 385-393
Journal: Biochimica et Biophysica Acta (BBA) - General Subjects - Volume 1724, Issue 3, 5 August 2005, Pages 385-393
نویسندگان
Liliane Mouawad, Jean-Didier Maréchal, David Perahia,