2MNE: Recognition Complex Of Dna D(cgactagtcg)2 With Thiazotropsin Analogue Aik-18/51

Citation:
Abstract
Solution-phase self-association characteristics and DNA molecular-recognition properties are reported for three close analogues of minor-groove-binding ligands from the thiazotropsin class of lexitropsin molecules; they incorporate isopropyl thiazole as a lipophilic building block. Thiazotropsin B (AcImPy(iPr) ThDp) shows similar self-assembly characteristics to thiazotropsin A (FoPyPy(iPr) ThDp), although it is engineered, by incorporation of imidazole in place of N-methyl pyrrole, to swap its DNA recognition target from 5'-ACTAGT-3' to 5'-ACGCGT-3'. Replacement of the formamide head group in thiazotropsin A by nicotinamide in AIK-18/51 results in a measureable difference in solution-phase self-assembly character and substantially enhanced DNA association characteristics. The structures and associated thermodynamic parameters of self-assembled ligand aggregates and their complexes with their respective DNA targets are considered in the context of cluster targeting of DNA by minor-groove complexes.
PDB ID: 2MNEDownload
MMDB ID: 121832
PDB Deposition Date: 2014/4/3
Updated in MMDB: 2014/09
Experimental Method:
solution nmr
Source Organism:
Biological Unit for 2MNE: dimeric; determined by author
Molecular Components in 2MNE
Label Count Molecule
Nucleotide(1 molecule)
2
5'-d(*cp*gp*ap*cp*tp*ap*gp*tp*cp*g)-3'
Molecule annotation
Chemicals (2 molecules)
1
2
* Click molecule labels to explore molecular sequence information.

Citing MMDB
.