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NDB ID: NA1555    PDB ID: 4DA3 


Title:

CRYSTAL STRUCTURE OF AN INTRAMOLECULAR HUMAN TELOMERIC DNA G-QUADRUPLEX 21-MER BOUND BY THE NAPHTHALENE DIIMIDE COMPOUND MM41.

Molecular Description:

5'-D(*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*G)-3'

Deposited:

2012-01-12

Released:

2013-01-30

Structural Keywords:

QUADRUPLE HELIX, TETRAPLEX

Nucleic Acid Sequence:

Click to show/hide 1 nucleic acid sequences

Protein Sequence:

No Protein Sequence Found

Primary Citation:

Micco, M., Collie, G.W., Dale, A.G., Ohnmacht, S.A., Pazitna, I., Gunaratnam, M., Reszka, A.P., Neidle, S.
Structure-based design and evaluation of naphthalene diimide g-quadruplex ligands as telomere targeting agents in pancreatic cancer cells. 
J.Med.Chem., 56, pp. 2959 - 2974, 2013.

Experimental Information:

X-RAY DIFFRACTION

Space Group:

P 31 2 1

Cell Constants:

a = 51.31   b = 51.31   c = 51.94 (Ångstroms)

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

Refinement:

The structure was refined using the REFMAC program. The R value is 0.24424 for 3098 reflections in the resolution range 14.81 to 2.4 Ångstroms with Fobs >  0.0 sigma(Fobs) and with I >  0.0 sigma(I)