1O15

THEOPHYLLINE-BINDING RNA IN COMPLEX WITH THEOPHYLLINE, NMR, REGULARIZED MEAN STRUCTURE, REFINEMENT WITH TORSION ANGLE AND BASE-BASE POSITIONAL DATABASE POTENTIALS AND DIPOLAR COUPLINGS

1O15 の概要

• エントリーDOI: 10.2210/pdb1o15/pdb
• 分子名称: THEOPHYLLINE-BINDING RNA, THEOPHYLLINE (2 entities in total)
• 機能のキーワード: ribonucleic acid, rna
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 10818.57

構造登録者

Clore, G.M.,Kuszewski, J. (登録日: 2002-10-21, 公開日: 2003-02-18, 最終更新日: 2023-12-27)

主引用文献

Clore, G.M.,Kuszewski, J.
Improving the Accuracy of NMR Structures of RNA by Means of Conformational Database Potentials of Mean Force as Assessed by Complete Dipolar Coupling Cross-Validation
J.Am.Chem.Soc., 125:1518-1525, 2003

PubMed Abstract: The description of the nonbonded contact terms used in simulated annealing refinement can have a major impact on nucleic acid structures generated from NMR data. Using complete dipolar coupling cross-validation, we demonstrate that substantial improvements in coordinate accuracy of NMR structures of RNA can be obtained by making use of two conformational database potentials of mean force: a nucleic acid torsion angle database potential consisting of various multidimensional torsion angle correlations; and an RNA specific base-base positioning potential that provides a simple geometric, statistically based, description of sequential and nonsequential base-base interactions. The former is based on 416 nucleic acid crystal structures solved at a resolution of PubMed: 12568611
DOI: 10.1021/ja028383j

実験手法

SOLUTION NMR