A model of 3D-structure of H+, K+-ATPase catalytic subunit derived by homology modeling
文献类型：期刊论文
| 作者 | Yan D2; Hu YD2; Li S2; Cheng MS2 |
| 刊名 | ACTA PHARMACOLOGICA SINICA
 |
| 出版日期 | 2004 |
| 卷号 | 25期号:4页码:474-479 |
| 关键词 | GASTRIC H+/K+-ATPASE OMEPRAZOLE MEMBRANE TRANSPORT PUMP peptic ulcer H(+)-K(+)-exchanging ATPase protein structural homology drug design |
| ISSN号 | 1671-4083 |
| 其他题名 | A model of 3D-structure of H+, K+-ATPase catalytic subunit derived by homology modeling |
| 英文摘要 | AIM: To build a model of 3D-structure of H+, K+-ATPase catalytic subunit for theoretical study and anti-ulcer drug design. METHODS: The model was built on the basis of structural data from the Ca2+-ATPase. Structurally conserved regions were defined by amino acid sequence comparisons, optimum interconnecting loops were selected from the protein databank, and amino (N)- and carboxyl (C)-terminal ends were generated as random coil structures. Applying molecular mechanics method then minimized the model energy. Molecular dynamics technique was used to do further structural optimization. RESULTS: The model of 3D-structure of H+, K+-ATPase was derived. The model is reasonable according to several validation criteria. There were ten transmembrane helices (TM1-TM10) in the model and inhibitor-binding site was identified on the TM5-8 riched negatively charged residues. CONCLUSION: The 3D-structure model from our study is informative to guide future molecular biology study about H+, K+-ATPase and drug design based on database searching. |
| 语种 | 英语 |
| CSCD记录号 | CSCD:1842249 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/142791]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 作者单位 | 1.中国科学院金属研究所 2.Acad Mil Med Science |
| 推荐引用方式 GB/T 7714 | Yan D,Hu YD,Li S,et al. A model of 3D-structure of H+, K+-ATPase catalytic subunit derived by homology modeling[J]. ACTA PHARMACOLOGICA SINICA,2004,25(4):474-479. |
| APA | Yan D,Hu YD,Li S,&Cheng MS.(2004).A model of 3D-structure of H+, K+-ATPase catalytic subunit derived by homology modeling.ACTA PHARMACOLOGICA SINICA,25(4),474-479. |
| MLA | Yan D,et al."A model of 3D-structure of H+, K+-ATPase catalytic subunit derived by homology modeling".ACTA PHARMACOLOGICA SINICA 25.4(2004):474-479. |
入库方式： OAI收割
来源：金属研究所
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