1KR8
Refinement of d(GCGAAGC) Hairpin Structure Using One-and Two-Bonds Residual Dipolar Couplings
Summary for 1KR8
| Entry DOI | 10.2210/pdb1kr8/pdb |
| NMR Information | BMRB: 5282 |
| Descriptor | 5'-D(*GP*CP*GP*AP*AP*GP*C)-3' (1 entity in total) |
| Functional Keywords | hairpin, dna, ga mismatch |
| Total number of polymer chains | 1 |
| Total formula weight | 2147.44 |
| Authors | Padrta, P.,Stefl, R.,Zidek, L.,Sklenar, V. (deposition date: 2002-01-09, release date: 2002-12-11, Last modification date: 2024-05-22) |
| Primary citation | 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 Cited by 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: 12449414DOI: 10.1023/A:1020632900961 PDB entries with the same primary citation |
| Experimental method | SOLUTION NMR |
Structure validation
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