NDB ID: DDF029    PDB ID: 1D38 

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Title:

INFLUENCE OF AGLYCONE MODIFICATIONS ON THE BINDING OF ANTHRACYCLINE DRUGS TO DNA: THE MOLECULAR STRUCTURE OF IDARUBICIN AND 4-O-DEMETHYL-11-DEOXYDOXORUBICIN COMPLEXED TO D(CGATCG)

Molecular Description:

5'-D(*CP*GP*AP*TP*CP*G)-3'
IDARUBICIN

Deposited:

1991-04-23

Released:

1992-04-15

Structural Keywords:

RH DOUBLE HELIX

Nucleic Acid Sequence:

Click to show/hide 1 nucleic acid sequences

Protein Sequence:

No Protein Sequence Found

Primary Citation:

Gao, Y.G., Wang, A.H.
Influence of aglycone modifications on the binding of anthracycline drugs to DNA: the molecular structure of idarubicin and 4-O-demethyl-11-deoxydoxorubicin complexed to d(CGATCG). 
Anti-Cancer Drug Des., 6, pp. 137 - 149, 1991.

Experimental Information:

X-RAY DIFFRACTION

Space Group:

P 41 21 2

Cell Constants:

a = 28.13   b = 28.13   c = 53.68 (Ångstroms)

α = 90.0   β = 90.0   γ = 90.0 (degrees)

Refinement:

The structure was refined using the NUCLSQ program. The R value is 0.188 for 1724 reflections in the resolution range 0.0 to 1.7 Ångstroms with Fobs >  2.0 sigma(Fobs) and with I >  0.0 sigma(I)

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

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

Biological Assembly coordinates (pdb format) 1

Structure Factors (cif format)

Coordinates (pdb format, Unix compressed(.gz))

Coordinates (cif format, Unix compressed(.gz))

NMR Restraints (cif format, Unix compressed(.gz))

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))