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

Summary for 1O15

Entry DOI	10.2210/pdb1o15/pdb
Descriptor	THEOPHYLLINE-BINDING RNA, THEOPHYLLINE (2 entities in total)
Functional Keywords	ribonucleic acid, rna
Total number of polymer chains	1
Total formula weight	10818.57
Authors	Clore, G.M.,Kuszewski, J. (deposition date: 2002-10-21, release date: 2003-02-18, Last modification date: 2023-12-27)
Primary citation	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 Cited by 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 PDB entries with the same primary citation
Experimental method	SOLUTION NMR

Structure validation