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題名 | Molecular Dynamics Simulations to Determine of the Optimum Length and Type of O-Glycosylation in the Linker Domain of Glucoamylase from Aspergillus Awamori=以分子動態模擬研究來自Aspergillus Awamori菌種之Glucoamylase之連結區最適之O型醣化長度及鍵結型態 |
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作者姓名(中文) | 劉宜良; | 書刊名 | Journal of the Chinese Institute of Chemical Engineers |
卷期 | 34:6 2003.11[民92.11] |
頁次 | 頁655-660 |
分類號 | 418.41 |
關鍵詞 | 甘露糖; O型醣化; Molecular dynamics simulations; O-glycosylation; Glucoamylase; Mannose; Galactose; |
語文 | 英文(English) |
中文摘要 | 在本研究中,我們以10 ns之分子動態模擬研究來自Aspergillus awamori菌種之glucoamylase之連結區最適之O型醣化長度及鏈結型態。在未將糖鏈結於連結區中的Thr及Ser氨基酸時,其N-端到C-端中的線性長度會在105曵26Å間快速變動。在實際的生理條件下,甘露糖比半乳糖更容易以O型醣化型態鏈結於Ser及Thr氨基酸上導致此連結區的平均長度為95Å。連結區中16個Thr氨基酸上的羥羧基氧原子與第一個甘露糖上之質子所形成的氫鏈能稱定O型醣化的型態。 |
英文摘要 | In this study, 10 ns molecular dynamics simulations were conducted to determine the optimum length and type of O-glycosylation in the linker domain of glycoamylase from Aspergillus awamori. The linear distance between the N- and C-termini of the linker domain fluctuated rapidly between 105 and 126 A without adding sugars onto the Thr and Ser residues. Mannose was found to be more favorable to be O-linked to the Ser and Thr residues than galactose under the realistic biophysical conditions. Averagely 5 mannose residues O-linked to the Thr and Ser residues results in the averaged linear distance of 95 Å between the N- and C-termini at pH 4.5 and 330K. hydrogen bonds between the carbonyl oxygen of the 16 Thr residues in the linker domain and the proton in the +1 mannose contribute to stabilizing the O-glycosylated motif. |
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