NDB ID: GDL032
Title: SEQUENCE-DEPENDENT DRUG BINDING TO THE MINOR GROOVE OF DNA: THE CRYSTAL STRUCTURE OF THE DNA DODECAMER D(CGCAAATTTGCG)2 COMPLEXED WITH PROPAMIDINE Molecular Description: 5'-D(CpGpCpApApApTpTpTpGpCpG)-3' PROPAMIDINE Structural Features: B DOUBLE HELIX Nucleic Acid Sequence: Chains A,B: (DC) (DG) (DC) (DA) (DA) (DA) (DT) (DT) (DT) (DG) (DC) (DG) Primary Citation: Nunn, C.M., Neidle, S. Sequence-dependent drug binding to the minor groove of DNA: crystal structure of the DNA dodecamer d(CGCAAATTTGCG)2 complexed with propamidine. J.Med.Chem. , 38, pp. 2317 - 2325, 1995. Experimental Information: X-RAY DIFFRACTION Space Group: P  21   21   21 Cell Constants: a = 24.780 b = 41.160 c = 65.510 (Ångstroms) = 90.00 = 90.00 = 90.00 (degrees) Refinement: The structure was refined using the X-PLOR program. The R value is 15.5 for 842 reflections in the resolution range 8.000 to 2.200 Ångstroms 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) 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 RCSB Protein Data Bank: 102D
PubMed: 7608897
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