NDB ID: GDL028


Title:SEQUENCE-DEPENDENT EFFECTS IN DRUG-DNA INTERACTION: THE CRYSTAL STRUCTURE OF HOECHST 33258 BOUND TO THE D(CGCAAATTTGCG)2 DUPLEX
Molecular Description:5'-D(CpGpCpApApApTpTpTpGpCpG)-3'
HOECHST 33258
Structural Features:B DOUBLE HELIX
Nucleic Acid Sequence:
ChainsA,B:(DC) (DG) (DC) (DA) (DA) (DA) (DT) (DT) (DT) (DG) (DC) (DG)
Primary Citation:Spink, N., Brown, D.G., Skelly, J.V., Neidle, S.
Sequence-dependent effects in drug-DNA interaction: the crystal structure of Hoechst 33258 bound to the d(CGCAAATTTGCG)2 duplex.
Nucleic Acids Res. , 22, pp. 1607 - 1612, 1994.
Experimental Information:X-RAY DIFFRACTION
Space Group: 21   21   21
Cell Constants:
a = 25.270b = 41.320c = 65.110(Ångstroms)
= 90.00 = 90.00 = 90.00(degrees)
Refinement:The structure was refined using the NUCLSQ program. The R value is 18.5 for 2125 reflections in the resolution range 8.000 to 2.250 Ångstroms with I > 2.000 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: 296D

PubMed: 7515488




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