NDB ID: 6H5R    PDB ID: 6H5R 

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Title:

STRUCTURE OF THE COMPLEX OF A HUMAN TELOMERIC DNA WITH BIS(1-BUTYL-3-METHYL-IMIDAZOLE-2-YLIDENE) GOLD(I)

Molecular Description:

Human Telomeric DNA

Deposited:

2018-07-25

Released:

2019-01-30

Structural Keywords:

QUADRUPLE HELIX

Nucleic Acid Sequence:

Click to show/hide 1 nucleic acid sequences

Protein Sequence:

No Protein Sequence Found

Primary Citation:

Guarra, F., Marzo, T., Ferraroni, M., Papi, F., Bazzicalupi, C., Gratteri, P., Pescitelli, G., Messori, L., Biver, T., Gabbiani, C.
Interaction of a gold(i) dicarbene anticancer drug with human telomeric DNA G-quadruplex: solution and computationally aided X-ray diffraction analysis. 
Dalton Trans, 47, pp. 16132 - 16138, 2018.

Experimental Information:

X-RAY DIFFRACTION

Space Group:

C 1 2 1

Cell Constants:

a = 36.6   b = 71.37   c = 27.05 (Ångstroms)

α = 90.0   β = 92.42   γ = 90.0 (degrees)

Refinement:

The structure was refined using the REFMAC program. The R value is 0.2309 for 4178 reflections in the resolution range 35.69 to 2.0 Ångstroms with Fobs >  0.0 sigma(Fobs) and with I >  0.0 sigma(I)

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Asymmetric Unit coordinates (pdb format, Unix compressed(.gz))

Asymmetric Unit coordinates (cif format, Unix compressed(.gz))

Biological Assembly coordinates (pdb format) 1

Structure Factors (cif format)

Coordinates (pdb format, Unix compressed(.gz))

Coordinates (cif format, Unix compressed(.gz))

NMR Restraints (cif format, Unix compressed(.gz))

XML | Complete with coordinates (xml format, GNU compressed(.gz))

XML | Coordinates only (xml format, GNU compressed(.gz))

XML | Header only (xml format, GNU compressed(.gz))