NDB ID: DD0035


Title:STRUCTURE OF COMPLEX BETWEEN CYCLOHEXYL-BIS-FURAMIDINE AND D(CGCGAATTCGCG)
Molecular Description:5'-D(CpGpCpGpApApTpTpCpGpCpG)-3'
BIS-PHENYL FURAN 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:Simpson, I.J., Lee, M., Kumar, A., Boykin, D.W., Neidle, S.
DNA minor groove interactions and the biological activity of 2,5-bis-[4-(N-alkylamidino)phenyl] furans
Bioorg.Med.Chem.Lett. , 10, pp. 2593 - 2597, 2000.
Experimental Information:X-RAY DIFFRACTION
Space Group: 21   21   21
Cell Constants:
a = 25.567b = 40.236c = 65.567(Ångstroms)
= 90.00 = 90.00 = 90.00(degrees)
Refinement:The structure was refined using the SHELXL-97 program. The R value is 21.7 for 5492 reflections in the resolution range 10. to 1.9 Ångstroms with I > 1.0 sigma(I).

Biological Assembly 1
Other Views
Asymmetric Unit
Crystal Packing
Enlarge Biological Assembly 1



Coordinate + Structure Data

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

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

Biological Assembly coordinates (pdb 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 RCSB Protein Data Bank: 1FMS

PubMed: 11128631




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