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NDB ID: NA0988    PDB ID: 3QSF 


Title:

THE FIRST CRYSTAL STRUCTURE OF A HUMAN TELOMERIC G-QUADRUPLEX DNA BOUND TO A METAL-CONTAINING LIGAND (A NICKEL COMPLEX)

Molecular Description:

5'-D(*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*T)-3'/[2
2'-{(4
5-DIFLUOROBENZENE-1
2-DIYL)BIS[(NITRILO-KAPPAN)METHYLYLIDENE]}BIS{5-[2-(PIPERIDIN-1-YL)ETHOXY]PHENOLATO-KAPPAO}(2-)]NICKEL (II)

Deposited:

2011-02-21

Released:

2011-12-07

Structural Keywords:

QUADRUPLE HELIX, LOOP, TETRAPLEX

Nucleic Acid Sequence:

Click to show/hide 1 nucleic acid sequences

Protein Sequence:

No Protein Sequence Found

Primary Citation:

Campbell, N.H., Karim, N.H., Parkinson, G.N., Gunaratnam, M., Petrucci, V., Todd, A.K., Vilar, R., Neidle, S.
Molecular basis of structure-activity relationships between salphen metal complexes and human telomeric DNA quadruplexes. 
J.Med.Chem., 55, pp. 209 - 222, 2012.

Experimental Information:

X-RAY DIFFRACTION

Space Group:

C 2 2 2

Cell Constants:

a = 44.02   b = 54.909   c = 33.691 (Ångstroms)

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

Refinement:

The structure was refined using the REFMAC program. The R value is 0.2404 for 1684 reflections in the resolution range 15.0 to 2.4 Ångstroms with Fobs >  0.0 sigma(Fobs) and with I >  0.0 sigma(I)