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| Title: | | THE ROLE OF HYDROGEN BONDING IN MINOR-GROOVE DRUG-DNA RECOGNITION. STRUCTURE OF A BIS-AMIDINIUM DERIVATIVE OF HOECHST 33258 COMPLEXED TO THE DODECANUCLEOTIDE D(CGCGAATTCGCG)2 | |
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| Molecular Description: | 5'-D(CpGpCpGpApApTpTpCpGpCpG)-3'
BIS-AMIDINIUM DERIVATIVE OF HOECHST 33258 |
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| Structural Features: | B DOUBLE HELIX |
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| Nucleic Acid Sequence: |
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| Chains | A,B: | | (DC) (DG) (DC) (DG) (DA) (DA) (DT) (DT) (DC) (DG) (DC) (DG) |
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| Primary Citation: | Clark, G.R., Boykin, D.W., Czarny, A., Neidle, S.
Structure of a bis-amidinium derivative of hoechst 33258 complexed to dodecanucleotide d(CGCGAATTCGCG)2: the role of hydrogen bonding in minor groove drug-DNA recognition.
Nucleic Acids Res.
, 25,
pp. 1510 - 1515, 1997.
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| Experimental Information: | X-RAY DIFFRACTION |
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| Space Group: |
P
21
21
21
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| Cell Constants: |
| a = 25.750 | b = 40.560 | c = 66.260 | (Ångstroms) |
 = 90.00 |  = 90.00 |  = 90.00 | (degrees) |
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| Refinement: | The structure was refined using the X-PLOR program.
The R value is
19.5
for 2954 reflections
in the resolution range 8.000 to
2.200 Ångstroms
with Fobs > 2.000 sigma(Fobs).
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