NDB ID: DDF050


Title:A TRIGONAL FORM OF THE IDARUBICIN-D(CGATCG) COMPLEX: CRYSTAL AND MOLECULAR STRUCTURE AT 2.0 ANGSTROMS RESOLUTION
Molecular Description:5'-D(CpGpApTpCpG)-3'
IDARUBICIN AND SPERMINE
Structural Features:RH DOUBLE HELIX
Nucleic Acid Sequence:
ChainsA,B,C,D:(DC) (DG) (DA) (DT) (DC) (DG)
Primary Citation:Dautant, A., Langlois d'Estaintot, B., Gallois, B., Brown, T., Hunter, W.N.
A trigonal form of the idarubicin:d(CGATCG) complex; crystal and molecular structure at 2.0 A resolution.
Nucleic Acids Res. , 23, pp. 1710 - 1716, 1995.
Experimental Information:X-RAY DIFFRACTION
Space Group: 31
Cell Constants:
a = 52.996b = 52.996c = 33.065(Ångstroms)
= 90.00 = 90.00 = 120.00(degrees)
Refinement:The structure was refined using the NUCLSQ program. The R value is 18.8 for 3768 reflections in the resolution range 18.000 to 1.970 Ångstroms with Fobs > 2.000 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)12

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: 198D

PubMed: 7784175




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