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| Title: | | STRUCTURE OF OLIGONUCLEOTIDE/DRUG COMPLEX | |
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| Molecular Description: | 5'-D(CpGpTpApCpG)-3'
9-[(5-(ACETYLAMINO)-6-{[(1S,4R)-8-AMINO-4-[((2R)-6-AMINO-2-{2-[(1S)-5-AMINO-1-FORMYLPENTYL]HYDRAZINO}HEXANOYL)AMINO]-1-(4-AMINOBUTYL)-2,3-DIOXOOCTYL]AMINO}-6-OXOHEXYL)AMINO]-6-CHLORO-2-METHOXYACRIDINIUM |
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| Structural Features: | B DOUBLE HELIX, FLIPPED-OUT BASE, BASE INTERCALATED, OVERHANGING BASE |
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| Nucleic Acid Sequence: |
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| Chains | A,B: | | (DC) (DG) (DT) (DA) (DC) (DG) |
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| Primary Citation: | Valls, N., Steiner, R.A., Wright, G., Murshudov, G.N., Subirana, J.A.
Variable role of ions in two drug intercalation complexes of DNA
J.Biol.Inorg.Chem.
, 10,
pp. 476 - 482, 2005.
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| Experimental Information: | X-RAY DIFFRACTION |
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| Space Group: |
C
2
2
2
|
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| Cell Constants: |
| a = 28.659 | b = 53.473 | c = 40.691 | (Ångstroms) |
 = 90.00 |  = 90.00 |  = 90.00 | (degrees) |
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| Refinement: | The structure was refined using the REFMAC 5.1.24 program.
The R value is
19.3
for 5550 reflections
in the resolution range 40.82 to
1.40 Ångstroms
. |
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