1KR8

Refinement of d(GCGAAGC) Hairpin Structure Using One-and Two-Bonds Residual Dipolar Couplings

1KR8 の概要

• エントリーDOI: 10.2210/pdb1kr8/pdb
• NMR情報: BMRB: 5282
• 分子名称: 5'-D(*GP*CP*GP*AP*AP*GP*C)-3' (1 entity in total)
• 機能のキーワード: hairpin, dna, ga mismatch
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 2147.44

構造登録者

Padrta, P.,Stefl, R.,Zidek, L.,Sklenar, V. (登録日: 2002-01-09, 公開日: 2002-12-11, 最終更新日: 2024-05-22)

主引用文献

Padrta, P.,Stefl, R.,Kralik, L.,Zidek, L.,Sklenar, V.
Refinement of d(GCGAAGC) Hairpin Structure Using One- and Two-Bond Residual Dipolar Couplings
J.BIOMOL.NMR, 24:1-14, 2002

PubMed Abstract: The structure of the 13C,15N-labeled d(GCGAAGC) hairpin, as determined by NMR spectroscopy and refined using molecular dynamics with NOE-derived distances, torsion angles, and residual dipolar couplings (RDCs), is presented. Although the studied molecule is of small size, it is demonstrated that the incorporation of diminutive RDCs can significantly improve local structure determination of regions undefined by the conventional restraints. Very good correlation between the experimental and back-calculated small one- and two-bond 1H-13C, 1H-15N, 13C-13C and 13C-15N coupling constants has been attained. The final structures clearly show typical features of the miniloop architecture. The structure is discussed in context of the extraordinary stability of the d(GCGAAGC) hairpin, which originates from a complex interplay between the aromatic base stacking and hydrogen bonding interactions.

PubMed: 12449414
DOI: 10.1023/A:1020632900961

実験手法

SOLUTION NMR