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NDB ID: NA2239    PDB ID: 4J50 


Title:

CRYSTAL STRUCTURE OF AN EXPANDED RNA CAG REPEAT

Molecular Description:

5'-R(*UP*UP*GP*GP*GP*CP*CP*AP*GP*CP*AP*GP*CP*AP*GP*GP*UP*CP*C)-3'

Structural Keywords:

A DOUBLE HELIX

Nucleic Acid Sequence:

Click to show/hide 1 nucleic acid sequences

Protein Sequence:

No Protein Sequence Found

Primary Citation:

Yildirim, I., Park, H., Disney, M.D., Schatz, G.C.
A dynamic structural model of expanded RNA CAG repeats: a refined X-ray structure and computational investigations using molecular dynamics and umbrella sampling simulations. 
J.Am.Chem.Soc., 135, pp. 3528 - 3538, 2013.

Experimental Information:

X-RAY DIFFRACTION

Space Group:

H 3

Cell Constants:

a = 46.338   b = 46.338   c = 134.597 (Ångstroms)

α = 90.0   β = 90.0   γ = 120.0 (degrees)

Refinement:

The structure was refined using the PHENIX (phenix.refine: 1.7_650) program. The R value is 0.169 for 12318 reflections in the resolution range 22.433 to 1.65 Ångstroms with Fobs >  0.21 sigma(Fobs) and with I >  0.0 sigma(I)