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NDB ID: GDL027    PDB ID: 166D 


Title:

DRUG-DNA MINOR GROOVE RECOGNITION: CRYSTAL STRUCTURE OF GAMMA-OXAPENTAMIDINE COMPLEXED WITH D(CGCGAATTCGCG)2

Molecular Description:

5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'
GAMMA-OXAPENTAMIDINE

Deposited:

1994-03-17

Released:

1994-10-15

Structural Keywords:

B DOUBLE HELIX

Nucleic Acid Sequence:

Click to show/hide 1 nucleic acid sequences

Protein Sequence:

No Protein Sequence Found

Primary Citation:

Nunn, C.M., Jenkins, T.C., Neidle, S.
Crystal structure of gamma-oxapentamidine complexed with d(CGCGAATTCGCG)2. The effects of drug structural change on DNA minor-groove recognition. 
Eur.J.Biochem., 226, pp. 953 - 961, 1994.

Experimental Information:

X-RAY DIFFRACTION

Space Group:

P 21 21 21

Cell Constants:

a = 24.69   b = 40.33   c = 66.47 (Ångstroms)

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

Refinement:

The structure was refined using the X-PLOR program. The R value is 0.189 for 3184 reflections in the resolution range 8.0 to 2.2 Ångstroms with Fobs >  2.0 sigma(Fobs) and with I >  0.0 sigma(I)