1kr8: Difference between revisions
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|PDB= 1kr8 |SIZE=350|CAPTION= <scene name='initialview01'>1kr8</scene> | |PDB= 1kr8 |SIZE=350|CAPTION= <scene name='initialview01'>1kr8</scene> | ||
|SITE= | |SITE= | ||
|LIGAND= | |LIGAND= <scene name='pdbligand=DA:2'-DEOXYADENOSINE-5'-MONOPHOSPHATE'>DA</scene>, <scene name='pdbligand=DC:2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE'>DC</scene>, <scene name='pdbligand=DG:2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE'>DG</scene> | ||
|ACTIVITY= | |ACTIVITY= | ||
|GENE= | |GENE= | ||
|DOMAIN= | |||
|RELATEDENTRY= | |||
|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1kr8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1kr8 OCA], [http://www.ebi.ac.uk/pdbsum/1kr8 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1kr8 RCSB]</span> | |||
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[[Category: hairpin]] | [[Category: hairpin]] | ||
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 21:52:28 2008'' | ||
Revision as of 21:52, 30 March 2008
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| Ligands: | , , | ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
Refinement of d(GCGAAGC) Hairpin Structure Using One-and Two-Bonds Residual Dipolar Couplings
OverviewOverview
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.
About this StructureAbout this Structure
1KR8 is a Protein complex structure of sequences from [1]. Full crystallographic information is available from OCA.
ReferenceReference
Refinement of d(GCGAAGC) hairpin structure using one- and two-bond residual dipolar couplings., Padrta P, Stefl R, Kralik L, Zidek L, Sklenar V, J Biomol NMR. 2002 Sep;24(1):1-14. PMID:12449414
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