Molecular modeling of voltage-gated potassium channel pore
文献类型：期刊论文
| 作者 | Zhao, SR; Chen, KX ; Wang, W; Gu, JD; Hu, ZJ; Ji, RY
|
| 刊名 | ACTA PHARMACOLOGICA SINICA
 |
| 出版日期 | 1997-07 |
| 卷号 | 18期号:4页码:323-+ |
| 关键词 | molecular models potassium channels protein conformation ion transport computer-aided design |
| ISSN号 | 1671-4083 |
| 文献子类 | Article |
| 英文摘要 | AIM: To build a structure model for the pore of voltage-gated Shaker potassium channel and examine its validity. METHODS: (1) Structural restraints were derived from experimental and theoretical studies; (2) An initial structural motif satisfying the derived restraints was first constructed,and further refined by restrained molecular mechanics; (3) The quality of the model was judged by the criterion that whether it could clarify molecular mechanisms of channel functions and explain the known experimental facts. RESULTS: (1) A computer pore; structure was proposed, in which the residues within signature sequence (corresponding to Shaker 439-446) dipped into the membrane and formed the narrow part of the pore in a non-periodic conformation, white the other residues in the P region constituted the outer mouth of the pore; (2) The ion selectivity was achieved through cation-pi orbital interaction mechanism at position 445 and oxygen cage mechanism at position 447; (3) Different binding modes led to different affinity of CTX and AgTx2 to channel; and (4) The inside of pore was dominated by negative electrostatic potential. CONCLUSION: The model proposed was consistent with the derived restraints from the experimental results. |
| WOS关键词 | K+ CHANNEL ; RESIDUES ; PEPTIDE |
| WOS研究方向 | Chemistry ; Pharmacology & Pharmacy |
| 语种 | 英语 |
| WOS记录号 | WOS:A1997XJ69800009 |
| 出版者 | SHANGHAI INST MATERIA MEDICA |
| 源URL | [http://119.78.100.183/handle/2S10ELR8/274898]  |
| 专题 | 药物发现与设计中心 药理学第二研究室 |
| 作者单位 | ACAD SINICA, SHANGHAI INST MAT MED, SHANGHAI 200031, PEOPLES R CHINA |
| 推荐引用方式 GB/T 7714 | Zhao, SR,Chen, KX,Wang, W,et al. Molecular modeling of voltage-gated potassium channel pore[J]. ACTA PHARMACOLOGICA SINICA,1997,18(4):323-+. |
| APA | Zhao, SR,Chen, KX,Wang, W,Gu, JD,Hu, ZJ,&Ji, RY.(1997).Molecular modeling of voltage-gated potassium channel pore.ACTA PHARMACOLOGICA SINICA,18(4),323-+. |
| MLA | Zhao, SR,et al."Molecular modeling of voltage-gated potassium channel pore".ACTA PHARMACOLOGICA SINICA 18.4(1997):323-+. |
入库方式： OAI收割
来源：上海药物研究所
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