NDB ID: DDF028
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(CpGpApTpCpG)-3' 4-O-DEMETHYL-11-DEOXYDOXORUBICIN Structural Features: RH DOUBLE HELIX Nucleic Acid Sequence: Chain A: (DC) (DG) (DA) (DT) (DC) (DG) 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 = 28.180 b = 28.180 c = 53.140 (Ångstroms) = 90.00 = 90.00 = 90.00 (degrees) Refinement: The structure was refined using the NUCLSQ program. The R value is 17.9 for 1247 reflections in the resolution of 1.800 with Fobs > 2.000 sigma(Fobs).	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: 1D37
PubMed: 1872945
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