NDB ID: UD0040


Title:GCATGCT + BARIUM
Molecular Description:5'-D(GpCpApTpGpCpT)-3'
Structural Features:QUADRUPLE HELIX, LOOPS, INTERNAL LOOP
Nucleic Acid Sequence:
ChainsA, B: (DG) (DC) (DA) (DT) (DG) (DC) (DT)
Primary Citation:Cardin, C.J., Gan, Y., Thorpe, J.H., Teixeira, S.C.M., Gale, B.C., Moraes, M.I.A.
Metal Ion Distribution and Stabilization of the DNA Quadruplex Structure Formed by d(GCATGCT)
To be published
Experimental Information:X-RAY DIFFRACTION
Space Group: 21
Cell Constants:
a = 22.015b = 59.536c = 47.667(Ångstroms)
= 90.00 = 90.00 = 90.00(degrees)
Crystallization Conditions:
Method:VAPOR DIFFUSION, SITTING DROP
Drop:Sodium Cacodylate, Barium Chloride, Potassium Chloride, MPD, H2O
Reservoir:Sodium Cacodylate, Barium Chloride, MPD, H2O
Refinement:The structure was refined using the SHELXL-97 program. The R value is 20.11 for 4860 reflections in the resolution range 100.00 to 1.40 Ångstroms with Fobs > 0.0 sigma(Fobs).

Biological Unit 1
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Asymmetric Unit
Crystal Packing
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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)

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

Base Pair Step Parameters

Hydrogen Bonding Classification

Links

The Protein Data Bank: 1QYK




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