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| Title: | | HUMAN DNA TOPOISOMERASE I (70 KDA) IN COMPLEX WITH THE INDENOISOQUINOLINE AI-III-52 AND COVALENT COMPLEX WITH A 22 BASE PAIR DNA DUPLEX | |
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| Molecular Description: | DNA topoisomerase I/ 5'-D(ApApApApApGpAp
CpTpT)-3'
2,3-DIMETHOXY-12H-[1,3]DIOXOLO[5,6]INDENO[1,2-C]ISOQUINOLIN-6-IUM |
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| Structural Features: | B DOUBLE HELIX, BASE INTERCALATED |
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| Nucleic Acid Sequence: |
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| Protein Sequence: |
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| Primary Citation: | Ioanoviciu, A., Antony, S., Pommier, Y., Staker, B.L., Stewart, L., Cushman, M.
Synthesis and Mechanism of Action Studies of a Series of Norindenoisoquinoline Topoisomerase I Poisons Reveal an Inhibitor with a Flipped Orientation in the Ternary DNA-Enzyme-Inhibitor Complex As Determined by X-ray Crystallographic Analysis
J.Med.Chem.
, 48,
pp. 4803 - 4814, 2005.
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| Experimental Information: | X-RAY DIFFRACTION |
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| Space Group: |
P
1
21
1
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| Cell Constants: |
| a = 56.949 | b = 114.141 | c = 73.499 | (Ångstroms) |
 = 90.00 |  = 94.18 |  = 90.00 | (degrees) |
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| Refinement: | The structure was refined using the CNX 2002 program.
The R value is
22.9
for 16687 reflections
in the resolution range 46.57 to
3.10 Ångstroms
with Fobs > 0.0 sigma(Fobs).
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