NDB ID: DD0013


Title:5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'-BENZIMIDAZOLE COMPLEX
Molecular Description:5'-D(CpGpCpGpApApTpTpCpGpCpG)-3'
BENZIMIDAZOLE DERIVATIVE
Structural Features:B DOUBLE HELIX
Nucleic Acid Sequence:
ChainsA, B: (DC) (DG) (DC) (DG) (DA) (DA) (DT) (DT) (DC) (DG) (DC) (DG)
Primary Citation:Neidle, S., Mann, J., Rayner, E.J., Baron, A., Opoku-Boahen, Y., Simpson, I.J., Smith, N.J., Fox, K.R., Hartley, J.A., Kelland, L.R.
Symmetric bis-benzimidazoles, a new class of sequence-selective DNA-binding molecules
J.Chem.Soc.,Chem.Commun. pp. 929 - 930, 1999.
Experimental Information:X-RAY DIFFRACTION
Space Group: 21   21   21
Cell Constants:
a = 25.460b = 39.960c = 65.660(Ångstroms)
= 90.00 = 90.00 = 90.00(degrees)
Crystallization Conditions:
Method:VAPOR DIFFUSION, HANGING DROP
Drop:SODIUM CACODYLATE, MPD, MgCl2, KCl, SPERMINE
Reservoir:MPD
Refinement:The structure was refined using the SHELXL-97 program. The R value is 23.4 for reflections in the resolution range 8.0 to 1.8 Ångstroms with Fobs > 4 sigma(Fobs).

Biological Unit 1
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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: 453D

PubMed: -1




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