NDB ID: DD0003


Title:5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', BENZIMIDAZOLE DERIVATIVE 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:Squire, C.J., Baker, L.J., Clark, G.R., Martin, R.F., White, J.
Structures of m-iodo Hoechst-DNA complexes in crystals with reduced solvent content: implications for minor groove binder drug design.
Nucleic Acids Res. , 28, pp. 1252 - 1258, 2000.
Experimental Information:X-RAY DIFFRACTION
Space Group: 21   21   21
Cell Constants:
a = 24.560b = 33.850c = 61.150(Ångstroms)
= 90.00 = 90.00 = 90.00(degrees)
Crystallization Conditions:
Method:VAPOR DIFFUSION, SITTING DROP
Drop:MgCl2, SPERMINE, MPD, METHANOL, SODIUM CACODYLATE
Reservoir:MPD
Refinement:The structure was refined using the SHELXL-97 program. The R value is 14.9 for 10031 reflections in the resolution range 8.0 to 1.6 Ångstroms with Fobs > 4.0 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: 442D

PubMed: 10666470




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