Constructing atomic-resolution RNA structural ensembles using MD and motionally decoupled NMR RDCs

被引：20

作者：

Stelzer, Andrew C. ^{[2
,3
]}

Frank, Aaron T. ^{[1
]}

Bailor, Maximillian H. ^{[2
,3
]}

Andricioaei, Ioan ^{[1
]}

Al-Hashimi, Hashim M. ^{[2
,3
]}

机构：

[1] Univ Calif Irvine, Dept Chem, Irvine, CA 92697 USA

[2] Univ Michigan, Dept Chem, Ann Arbor, MI 48109 USA

[3] Univ Michigan, Dept Biophys, Ann Arbor, MI 48109 USA

来源：

METHODS | 2009年 / 49卷 / 02期

关键词：

RNA dynamics; Adaptive recognition; Collective motions; Non-coding RNA; Movies; RESIDUAL DIPOLAR COUPLINGS; MOLECULAR-DYNAMICS SIMULATIONS; PROTEIN-STRUCTURE; CHEMICAL-SHIFTS; MG2+ BINDING; ALIGNMENT; RELAXATION; FIELD; MACROMOLECULES; BIOMOLECULES;

D O I：

10.1016/j.ymeth.2009.08.006

中图分类号：

Q5 [生物化学];

学科分类号：

071010 ; 081704 ;

摘要：

A broad structural landscape often needs to be characterized in order to fully understand how regulatory RNAs perform their biological functions at the atomic level. We present a protocol for visualizing thermally accessible RNA conformations at atomic-resolution and with timescales extending up to milliseconds. The protocol combines molecular dynamics (MD) simulations with experimental residual dipolar couplings (RDCs) measured in partially aligned C-13/N-15 isotopically enriched elongated RNA samples. The structural ensembles generated in this manner provide insights into RNA dynamics and its role in functionally important transitions. Published by Elsevier Inc.

引用

页码：167 / 173

页数：7

共 16 条

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