NDB ID: DD0077


Title:THE STRUCTURE OF A THREE-WAY DNA JUNCTION IN COMPLEX WITH A METALLO-SUPRAMOLECULAR HELICATE REVEALS A NEW TARGET FOR DRUGS
Molecular Description:5'-D(CpGpTpApCpG)-3'

1,1-BIS(N-(4-PHENYL)-2-PYRIDYLCABOXALDIMINE)METHANE
Structural Features:RH TRIPLE HELIX, OPEN HELIX
Nucleic Acid Sequence:
ChainsA, B: (DC) (DG) (DT) (DA) (DC) (DG)
Primary Citation:Oleksi, A., Blanco, A.G., Boer, R., Uson, I., Aymami, J., Rodger, A., Hannon, M.J., Coll, M.
Molecular Recognition of a Three-Way DNA Junction by a Metallosupramolecular Helicate
ANGEW.CHEM.INT.ED.ENGL. , 45, pp. 1227 - 1231, 2006.
Experimental Information:X-RAY DIFFRACTION
Space Group: 41   2
Cell Constants:
a = 71.200b = 71.200c = 71.200(Ångstroms)
= 90.00 = 90.00 = 90.00(degrees)
Crystallization Conditions:
Method:VAPOR DIFFUSION, SITTING DROP
Drop:0.08M Mg acetate, 0.05M TrisCl, PEG EG400
Reservoir:0.08M Mg acetate, 0.05M TrisCl, PEG EG400
Refinement:The structure was refined using the SHELXL-97 program. The R value is 25.6 for 6182 reflections in the resolution range 22.5 to 1.7 Ångstroms with I > 4 sigma(I).

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Coordinate + Structure Data

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

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

Biological Unit coordinates (pdb format)123

Structure Factors (cif format)

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))

Derivative Data

Nucleic Acid Backbone Torsions

Base Pair Parameters

Hydrogen Bonding Classification

Links

The Protein Data Bank: 2ET0

PubMed: 16463312




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