1pqt

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|PDB= 1pqt |SIZE=350|CAPTION= <scene name='initialview01'>1pqt</scene>
|PDB= 1pqt |SIZE=350|CAPTION= <scene name='initialview01'>1pqt</scene>
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|SITE=
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|LIGAND= <scene name='pdbligand=DA:2&#39;-DEOXYADENOSINE-5&#39;-MONOPHOSPHATE'>DA</scene>, <scene name='pdbligand=DC:2&#39;-DEOXYCYTIDINE-5&#39;-MONOPHOSPHATE'>DC</scene>, <scene name='pdbligand=DG:2&#39;-DEOXYGUANOSINE-5&#39;-MONOPHOSPHATE'>DG</scene>
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|ACTIVITY=
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|RELATEDENTRY=[[1kr8|1KR8]]
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1pqt FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1pqt OCA], [http://www.ebi.ac.uk/pdbsum/1pqt PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1pqt RCSB]</span>
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[[Category: hairpin]]
[[Category: hairpin]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 13:27:48 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 23:03:18 2008''

Revision as of 20:03, 30 March 2008

Image:1pqt.gif


PDB ID 1pqt

Drag the structure with the mouse to rotate
Ligands: , ,
Related: 1KR8


Resources: FirstGlance, OCA, PDBsum, RCSB
Coordinates: save as pdb, mmCIF, xml



REFINEMENT OF d(GCGAAGC) HAIRPIN STRUCTURE USING ONE- AND TWO-BOND RESIDUAL DIPOLAR COUPLINGS


Overview

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 Structure

1PQT is a Protein complex structure of sequences from [1]. Full crystallographic information is available from OCA.

Reference

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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