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| Title: | | A THIOPHENE BASED DIAMIDINE FORMS A "SUPER" AT BINDING MINOR GROOVE AGENT | |
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| Molecular Description: | 5'-D(CpGpCpGpApApTpTpCpGpCpG)-3'
2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}-2-THIENYL)-1H-BENZIMIDAZOLE-6- CARBOXIMIDAMIDE DIHYDROCHLORIDE |
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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: | Mallena, S., Lee, M.P.H., Bailly, C., Neidle, S., Kumar, A., Boykin, D.W., Wilson, W.D.
Thiophene-Based Diamidine Forms a "Super" at Binding Minor Groove Agent
J.Am.Chem.Soc.
, 142,
pp. 13659, 2004.
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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 = 25.677 | b = 39.921 | c = 65.185 | (Ångstroms) |
 = 90.00 |  = 90.00 |  = 90.00 | (degrees) |
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| Refinement: | The structure was refined using the SHELXL-97 program.
The R value is
22.7
for reflections
in the resolution range 8.00 to
1.77 Ångstroms
with Fobs > 2.0 sigma(Fobs).
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