Conformational changes accompanying with the binding of protein and ligand
文献类型：期刊论文
| 作者 | Liu, ZJ; Jiang, L; Li, WZ; Han, YZ; Lai, LH |
| 刊名 | ACTA CHIMICA SINICA
 |
| 出版日期 | 2000 |
| 卷号 | 58期号:7页码:772-776 |
| 关键词 | Protein Ligand Docking Loop Hinge Binding Movement Induced Fit Effect Sub - Stable States Hypothesis |
| ISSN号 | 0567-7351 |
| 英文摘要 | The binding of protein with its ligand can be generalized into two major modes: direct binding with surface loops or binding associated with hinge movement. Two different strategies were developed to study the conformational variation in the binding process. For directive loop binding, a combinatorial conformational library for the backbone structure of the loop was built up, which includes all possible sub - stable conformations of the loop during the binding procedure. The library of conformations was subject to screening by rigid docking. The Streptavidin complex was used as an example to explore the possibility to build the combinatorial conformational library of loop backbone. For hinge binding movement, step - by - step docking method has been proposed and applied to HIV - 1 protease and inhibitor system. The results show that both methods can simulate the conformational variation of proteins in the binding process successfully. The proposed methods for studying the binding process of protein and ligand will be helpful for protein and drug design. |
| 语种 | 英语 |
| WOS记录号 | WOS:000088279100008 |
| 出版者 | ACTA CHIMICA SINICA |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/75651]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Liu, ZJ |
| 作者单位 | Peking Univ, Inst Phys Chem, Coll Chem & Mol Engn, State Key Lab Struct Chem Unstable & Stable Speci, Beijing 100871, Peoples R China |
| 推荐引用方式 GB/T 7714 | Liu, ZJ,Jiang, L,Li, WZ,et al. Conformational changes accompanying with the binding of protein and ligand[J]. ACTA CHIMICA SINICA,2000,58(7):772-776. |
| APA | Liu, ZJ,Jiang, L,Li, WZ,Han, YZ,&Lai, LH.(2000).Conformational changes accompanying with the binding of protein and ligand.ACTA CHIMICA SINICA,58(7),772-776. |
| MLA | Liu, ZJ,et al."Conformational changes accompanying with the binding of protein and ligand".ACTA CHIMICA SINICA 58.7(2000):772-776. |
入库方式： OAI收割
来源：化学研究所
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