NDB ID: DD0048


Title:CRYSTAL STRUCTURE OF 9-AMINO-N-[2-(4-MORPHOLINYL)ETHYL]-4-ACRIDINECARBOXAMIDE BOUND TO D(CGTACG)2
Molecular Description:5'-D(CpGpTpApCpG)-3'

9-AMINO-N-[2-(4-MORPHOLINYL)ETHYL]-4-ACRIDINECARBOXAMIDE
Structural Features:B DOUBLE HELIX
Nucleic Acid Sequence:
ChainA:(DC) (DG) (DT) (DA) (DC) (DG)
Primary Citation:Adams, A., Guss, J.M., Denny, W.A., Wakelin, L.P.
Crystal structure of 9-amino-N-[2-(4-morpholinyl)ethyl]-4-acridinecarboxamide bound to d(CGTACG)2: implications for structure-activity relationships of acridinecarboxamide topoisomerase poisons.
Nucleic Acids Res. , 30, pp. 719 - 725, 2002.
Experimental Information:X-RAY DIFFRACTION
Space Group: 64
Cell Constants:
a = 30.239b = 30.239c = 39.340(Ångstroms)
= 90.00 = 90.00 = 120.00(degrees)
Refinement:The structure was refined using the SHELXL-97 program. The R value is 21.5 for 1931 reflections in the resolution range 40. to 1.8 Ångstroms with I > 0.0 sigma(I).

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: 1KCI

PubMed: 11809884




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