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NDB ID: AR0058    PDB ID: 1YY0 


Title:

CRYSTAL STRUCTURE OF AN RNA DUPLEX CONTAINING A 2'-AMINE SUBSTITUTION AND A 2'-AMIDE PRODUCT PRODUCED BY IN-CRYSTAL ACYLATION AT A C-A MISMATCH

Molecular Description:

5'-R(*GP*CP*AP*GP*AP*(A5M)P*UP*UP*AP*AP*AP*UP*CP*UP*GP*C)-3'/5'-R(*GP*CP*AP*GP*AP*(M5M)P*UP*UP*AP*AP*AP*UP*CP*UP*GP*C)-3'

Structural Keywords:

A DOUBLE HELIX

Nucleic Acid Sequence:

Click to show/hide 2 nucleic acid sequences

Protein Sequence:

No Protein Sequence Found

Primary Citation:

Gherghe, C.M., Krahn, J.M., Weeks, K.M.
Crystal structures, reactivity and inferred acylation transition States for 2'-amine substituted RNA. 
J.Am.Chem.Soc., 127, pp. 13622 - 13628, 2005.

Experimental Information:

X-RAY DIFFRACTION

Space Group:

P 31 2 1

Cell Constants:

a = 42.6   b = 42.6   c = 121.0 (Ångstroms)

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

Refinement:

The structure was refined using the CNS 1.1 program. The R value is 0.232 for 2217 reflections in the resolution range 8.99 to 3.2 Ångstroms with Fobs >  0.0 sigma(Fobs) and with I >  0.0 sigma(I)