A Portal for Three-dimensional Structural Information about Nucleic Acids
As of 17-Oct-2018 number of released structures: 9817
Search for released structures

NDB ID: 6AST    PDB ID: 6AST 


Title:

NMR AND RESTRAINED MOLECULAR DYNAMICS DETERMINATION OF THE STRUCTURE OF AN AZA-BENZIMIDAZOLE DERIVATIVE COMPLEX WITH THE DNA MINOR GROOVE OF AN -AAGATA SEQUENCE

Molecular Description:

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

Structural Keywords:

B DOUBLE HELIX

Nucleic Acid Sequence:

Click to show/hide 2 nucleic acid sequences

Protein Sequence:

No Protein Sequence Found

Primary Citation:

Harika, N.K., Germann, M.W., Wilson, W.D.
First Structure of a Designed Minor Groove Binding Heterocyclic Cation that Specifically Recognizes Mixed DNA Base Pair Sequences. 
Chemistry, 23, pp. 17612 - 17620, 2017.

Experimental Information:

SOLUTION NMR

Cell Constants:

a =   b =   c = (Ångstroms)

α =   β =   γ = (degrees)

Number of Models:

Number of Models: 11 Structures

Sample Details:

0.8 mM DNA hairpin, 10 mM Tris-d11 buffer, 10 mM sodium chloride, 0.14 mM EDTA, 0.4 mM DSS, 0.8 mM DB2277 molecule, 100% D2O 100% D2O