查詢結果分析
相關文獻
- Molecular Dynamics for Thermal Unfolding Behaviors of N-Carbamyl-D-Amino Acid Amidohydrolase
- Molecular Dynamics Simulations to Investigate the Thermal Unfolding Behaviors of the Tetramerization Domain of Shaker and Kv1.1 Potassium Channels
- Doping Effects on the Lithiation Processes of c-Si: A First-Principles Study
- 淺談分子模擬
- 氧化物固態電解質技術及其理論計算模擬
- 運用LMWA定律與分子模擬來篩選、設計具酸鹼響應特性的離子對雙親分子仿生雙層膜
頁籤選單縮合
題名 | Molecular Dynamics for Thermal Unfolding Behaviors of N-Carbamyl-D-Amino Acid Amidohydrolase=以分子動態模擬研究N-Carbamyl-D-Amino Acid Amidohydrolase受熱反摺疊行為 |
---|---|
作者 | 劉宣良; 謝偉強; | 書刊名 | Journal of the Chinese Institute of Chemical Engineers |
卷期 | 36:2 民94.03 |
頁次 | 頁185-194 |
分類號 | 460.02 |
關鍵詞 | 分子動態模擬; 受熱反摺疊; 溫度躍升技術; N-carbamyl-D-amino acid amidohydrolase; CAA; Molecular dynamics simulations; Temperature jump technique; Active site; Hydrophobic; Disulfide bond; |
語文 | 英文(English) |
中文摘要 | 本研究以1 ns之分子動態模擬及溫度躍升技術研究N-Carbamyl-D-Amino Acid Amidohydrolase(CAA)雙體的受熱反摺疊行爲。CAA受熱反摺疊並非一對稱的模式,而是此二個單體分別依照不同的路徑瓦解。單體A從5最外面的第一層失去基二級結構的完整性,而單體B卻由內部的第三層最先瓦解。因此,單體B中的活性中心也比單體A中的活性中心較不穩定。此二單體中間的介面疏水區也受熱膨脹,代表CCA雙體容易受熱分解成爲不具酵素活性的單體形式,因此,本研究結果建議在此疏水區中以基因工程的方法建構一些雙硫鍵,如 L218C,A222C,I301C,及A302C,用以“鎖住”這二個單體,以維持其具有活性的雙體型態,而此基因工程的研究也正在本實驗室中進行。 |
英文摘要 | The thermal unfolding behaviors of the dimeric N-carbamyl-D-amino acid amidohydrolase (CAA) were investigated by 1 ns molecular dynamics simulations in explicit water system with temperature jump technique. Rather than a symmetrical event, the unfolding of the two subunits of the dimeric CAA follows different pathways. Although these two subunits are structurally identical, subunit A loses its secondary structure integrity from the outermost layer 1 to the innermost layer 4; whereas subunit B unfolds first from its interior layer 3, where the active site pocket is located. Hence, the active site from subunit B is less stable than that from subunit A. Furthermore, the interfacial hydrophobic region is expanded, implying that the dimeric CAA tends to dissociate into the enzymatically inactive monomeric form. It further indicates that the interior layers lose their secondary structure integrity, resulting in the destruction of the active site geometry. Thus, it is suggested to engineer several disulfide bonds to bind the interfacial hydrophobic region, such as L218C, A 222C, I301C, and A302C, which is currently being conducted in our group. |
本系統之摘要資訊系依該期刊論文摘要之資訊為主。