Bridging the Missing Link between Structure and Fidelity of the RNA-Dependent RNA Polymerase from Poliovirus through Free Energy Simulations
文献类型：期刊论文
| 作者 | Shen, Hujun; Li, Guohui |
| 刊名 | journal of chemical theory and computation
 |
| 出版日期 | 2014-11-01 |
| 卷号 | 10期号:11页码:5195-5205 |
| 通讯作者 | 李国辉 |
| 英文摘要 | rna-dependent rna polymerases (rdrps) are enzymes catalyzing rna replication from a rna template. active-site closure in rdrps, normally induced by correct nucleotide triphosphate (ntp) binding, is a prerequisite for the cycle of nucleotide incorporation. so, a complete understanding of polymerase function (in particular polymerase fidelity) of a rdrp requires more complete knowledge of active-site closure in the rdrp. in this work, based on solved crystal structures, we have built different models for the rna-dependent rna polymerase from poliovirus (termed pv 3d(pol)). through md simulations and free energy calculations of these pv 3dpol models, we have revealed the dynamic correlation between motif a and motif d and between motif a and incoming ntp, have deepened our understanding of polymerase fidelity from dynamic aspects, and have provided an explanation to the puzzle that arises from different observations based on kinetic studies and structural data. |
| WOS标题词 | science & technology ; physical sciences |
| 学科主题 | 物理化学 |
| 类目[WOS] | chemistry, physical ; physics, atomic, molecular & chemical |
| 研究领域[WOS] | chemistry ; physics |
| 关键词[WOS] | state kinetic-analysis ; molecular-dynamics simulations ; histogram analysis method ; ribonucleotide incorporation ; reverse-transcriptase ; nucleotidyl transfer ; mechanism ; rna-polymerase-(3d(pol)) ; motions ; protein |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000344905300039 |
| 公开日期 | 2016-05-09 |
| 源URL | [http://cas-ir.dicp.ac.cn/handle/321008/144007]  |
| 专题 | 大连化学物理研究所_中国科学院大连化学物理研究所 |
| 作者单位 | Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Lab Mol Modeling & Design, Dalian 116023, Peoples R China |
| 推荐引用方式 GB/T 7714 | Shen, Hujun,Li, Guohui. Bridging the Missing Link between Structure and Fidelity of the RNA-Dependent RNA Polymerase from Poliovirus through Free Energy Simulations[J]. journal of chemical theory and computation,2014,10(11):5195-5205. |
| APA | Shen, Hujun,&Li, Guohui.(2014).Bridging the Missing Link between Structure and Fidelity of the RNA-Dependent RNA Polymerase from Poliovirus through Free Energy Simulations.journal of chemical theory and computation,10(11),5195-5205. |
| MLA | Shen, Hujun,et al."Bridging the Missing Link between Structure and Fidelity of the RNA-Dependent RNA Polymerase from Poliovirus through Free Energy Simulations".journal of chemical theory and computation 10.11(2014):5195-5205. |
入库方式： OAI收割
来源：大连化学物理研究所
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