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NDB ID: DD0022    PDB ID: 1QDA 


Title:

CRYSTAL STRUCTURE OF EPIDOXORUBICIN-FORMALDEHYDE VIRTUAL CROSSLINK OF DNA

Molecular Description:

5'-D(*CP*GP*CP*(G49)P*CP*G)-3'
DOXORUBICIN

Deposited:

1999-05-17

Released:

1999-09-15

Structural Keywords:

RH DOUBLE HELIX

Nucleic Acid Sequence:

Click to show/hide 1 nucleic acid sequences

Protein Sequence:

No Protein Sequence Found

Primary Citation:

Podell, E.R., Harrington, D.J., Taatjes, D.J., Koch, T.H.
Crystal structure of epidoxorubicin-formaldehyde virtual crosslink of DNA and evidence for its formation in human breast-cancer cells. 
Acta Crystallogr.,Sect.D, 55, pp. 1516 - 1523, 1999.

Experimental Information:

X-RAY DIFFRACTION

Space Group:

P 41 21 2

Cell Constants:

a = 28.11   b = 28.11   c = 52.54 (Ångstroms)

α = 90.0   β = 90.0   γ = 90.0 (degrees)

Refinement:

The structure was refined using the CNS program. The R value is 0.2052 for 2612 reflections in the resolution range 30.0 to 1.6 Ångstroms with Fobs >  2.0 sigma(Fobs) and with I >  2.0 sigma(I)