2MNB

Thiazotropsin B DNA recognition sequence d(CGACGCGTCG)2

Summary for 2MNB

• Entry DOI: 10.2210/pdb2mnb/pdb
• NMR Information: BMRB: 19886
• Descriptor: 5'-D(*CP*GP*AP*CP*GP*CP*GP*TP*CP*G)-3' (1 entity in total)
• Functional Keywords: thiazotropsins, dna recognition, isothermal titration calorimetry nmr, self-assembly, minor groove binder, dna
• Total number of polymer chains: 2
• Total formula weight: 6091.98

Authors

Alniss, H.Y.,Salvia, M.-V.,Sadikov, M.,Golovchenko, I.,Anthony, N.G.,Khalaf, A.I.,Mackay, S.P.,Suckling, C.J.,Parkinson, J.A. (deposition date: 2014-04-02, release date: 2014-09-17, Last modification date: 2024-05-01)

Primary citation

Alniss, H.Y.,Salvia, M.V.,Sadikov, M.,Golovchenko, I.,Anthony, N.G.,Khalaf, A.I.,MacKay, S.P.,Suckling, C.J.,Parkinson, J.A.
Recognition of the DNA minor groove by thiazotropsin analogues.
Chembiochem, 15:1978-1990, 2014

PubMed 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.

PubMed: 25045155
DOI: 10.1002/cbic.201402202

Experimental method

SOLUTION NMR