NDB ID: GDL027
Title: DRUG-DNA MINOR GROOVE RECOGNITION: CRYSTAL STRUCTURE OF GAMMA-OXAPENTAMIDINE COMPLEXED WITH D(CGCGAATTCGCG)2 Molecular Description: 5'-D(CpGpCpGpApApTpTpCpGpCpG)-3' GAMMA-OXAPENTAMIDINE Structural Features: B DOUBLE HELIX Nucleic Acid Sequence: Chains A,B: (DC) (DG) (DC) (DG) (DA) (DA) (DT) (DT) (DC) (DG) (DC) (DG) Primary Citation: Nunn, C.M., Jenkins, T.C., Neidle, S. Crystal structure of gamma-oxapentamidine complexed with d(CGCGAATTCGCG)2. The effects of drug structural change on DNA minor-groove recognition. Eur.J.Biochem. , 226, pp. 953 - 961, 1994. Experimental Information: X-RAY DIFFRACTION Space Group: P  21   21   21 Cell Constants: a = 24.690 b = 40.330 c = 66.470 (Ångstroms) = 90.00 = 90.00 = 90.00 (degrees) Refinement: The structure was refined using the X-PLOR program. The R value is 18.9 for 3184 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
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The RCSB Protein Data Bank: 166D
PubMed: 7813486
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