NDB ID: DDF079


Title:THREE-DIMENSIONAL STRUCTURE AND REACTIVITY OF A PHOTOCHEMICAL CLEAVAGE AGENT BOUND TO DNA
Molecular Description:5'-D(CpGpTpApCpG)-3'

N,N-BIS(3-AMINOPROPYL)-2-ANTHRAQUINONESULFONAMIDE
Structural Features:RH DOUBLE HELIX
Nucleic Acid Sequence:
ChainA:(DC) (DG) (DT) (DA) (DC) (DG)
Primary Citation:Gasper, S.M., Armitage, B., Shui, X., Hu, G.G., Yu, C., Schuster, G., Williams, L.D.
Three-Dimensional Structure and Reactivity of a Photochemical Cleavage Agent Bound to DNA
J.Am.Chem.Soc. , 120, pp. 12402 - 12409, 1998.
Experimental Information:X-RAY DIFFRACTION
Space Group: 65   2
Cell Constants:
a = 31.020b = 31.020c = 64.910(Ångstroms)
= 90.00 = 90.00 = 120.00(degrees)
Refinement:The structure was refined using the X-PLOR 3.1 program. The R value is 19.6 for 1680 reflections in the resolution range 10.000 to 1.800 Ångstroms with Fobs > 5.000 sigma(Fobs).

Biological Unit 1
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Coordinate + Structure Data

Asymmetric Unit coordinates (pdb format, Unix compressed(.gz))

Asymmetric Unit coordinates (cif format, Unix compressed(.gz))

Biological Unit 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 Protein Data Bank: 386D

PubMed: -1




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