NDB ID: DDF056
Title: CRYSTAL STRUCTURE OF FOUR MORPHOLINO-DOXORUBICIN ANTICANCER DRUGS COMPLEXED WITH D(CGTACG) AND D(CGATCG): IMPLICATIONS IN DRUG-DNA CROSSLINK Molecular Description: 5'-D(CpGpApTpCpG)-3' 3'-DESAMINO-3'-(3-CYANO-4-MORPHOLINYL)-DOXORUBICIN Structural Features: RH DOUBLE HELIX Nucleic Acid Sequence: Chain A: (DC) (DG) (DA) (DT) (DC) (DG) Primary Citation: Gao, Y.G., Wang, A.H. Crystal structures of four morpholino-doxorubicin anticancer drugs complexed with d(CGTACG) and d(CGATCG): implications in drug-DNA crosslink. J.Biomol.Struct.Dyn. , 13, pp. 103 - 117, 1995. Experimental Information: X-RAY DIFFRACTION Space Group: P  41   21   2 Cell Constants: a = 28.186 b = 28.186 c = 53.352 (Ångstroms) = 90.00 = 90.00 = 90.00 (degrees) Refinement: The structure was refined using the NUCLSQ program. The R value is 21.9 for 1652 reflections in the resolution of 1.800 with Fobs > 2.000 sigma(Fobs).	Biological Unit 1 Other Views Asymmetric Unit Crystal Packing Enlarge Biological Unit 1
Coordinate + Structure Data Asymmetric Unit coordinates (pdb format, Unix compressed(.gz)) Asymmetric Unit coordinates (cif format, Unix compressed(.gz)) Biological Unit 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
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The Protein Data Bank: 236D
PubMed: 8527023
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