NDB ID: DD0051


Title:ATOMIC RESOLUTION STRUCTURE OF 5BR-9AMINO-DACA WITH D[CGTACG]2
Molecular Description:5'-D(CpGpTpApCpG)-3'

5-BROMO-N[2-(DIMETHYLAMINO)ETHYL]-9-AMINOACRIDINE-4-CARBOXAMIDE
Structural Features:B DOUBLE HELIX
Nucleic Acid Sequence:
ChainA:(DC) (DG) (DT) (DA) (DC) (DG)
Primary Citation:Teixeira, S.C.M., Thorpe, J.H., Todd, A.K., Cardin, C.J.
Heavy Going: the Atomic Resolution Structure of a Topoisomerase II Poison Intercalating into DNA in Multiple Orientations Also Reveals a Multiple Adenine-Thymine Hydrogen Bonding Pattern
To be Published
Experimental Information:X-RAY DIFFRACTION
Space Group: 64
Cell Constants:
a = 30.186b = 30.186c = 39.443(Ångstroms)
= 90.00 = 90.00 = 120.00(degrees)
Refinement:The structure was refined using the SHELXL-97 program. The R value is 15.7 for 7350 reflections in the resolution range 10.00 to 1.10 Ångstroms with Fobs > 4.0 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: 1M69




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