A Portal for Three-dimensional Structural Information about Nucleic Acids
As of 12-Dec-2018 number of released structures: 9940
Search for released structures

NDB ID: 6GIM    PDB ID: 6GIM 


Title:

STRUCTURE OF THE DNA DUPLEX D(AAATTT)2 WITH [N-(3-CHLORO-4-((4,5-DIHYDRO-1H-IMIDAZOL-2-YL)AMINO)PHENYL)-4-((4,5-DIHYDRO-1H-IMIDAZOL-2- YL)AMINO)BENZAMIDE] - (DRUG JNI18)

Molecular Description:

DNA (5'-D(*AP*AP*AP*TP*TP*T)-3')

Structural Keywords:

B DOUBLE HELIX

Nucleic Acid Sequence:

Click to show/hide 1 nucleic acid sequences

Protein Sequence:

No Protein Sequence Found

Primary Citation:

Millan, C.R., Acosta-Reyes, F.J., Lagartera, L., Ebiloma, G.U., Lemgruber, L., Nue Martinez, J.J., Saperas, N., Dardonville, C., de Koning, H.P., Campos, J.L.
Functional and structural analysis of AT-specific minor groove binders that disrupt DNA-protein interactions and cause disintegration of the Trypanosoma brucei kinetoplast. 
Nucleic Acids Res., 45, pp. 8378 - 8391, 2017.

Experimental Information:

X-RAY DIFFRACTION

Space Group:

I 1 2 1

Cell Constants:

a = 22.63   b = 40.47   c = 72.255 (Ångstroms)

α = 90.0   β = 93.91   γ = 90.0 (degrees)

Refinement:

The structure was refined using the REFMAC program. The R value is 0.14585 for 11306 reflections in the resolution range 36.04 to 1.43 Ångstroms with Fobs >  0.0 sigma(Fobs) and with I >  0.0 sigma(I)