5OCZ
Free DNA_hairpin polyamides studies
Summary for 5OCZ
| Entry DOI | 10.2210/pdb5ocz/pdb |
| Descriptor | DNA (5'-D(*CP*GP*AP*TP*GP*TP*AP*CP*AP*TP*CP*G)-3') (1 entity in total) |
| Functional Keywords | dna free- minor groove binders- polyamides, dna |
| Biological source | Synthetic construct |
| Total number of polymer chains | 2 |
| Total formula weight | 7164.85 |
| Authors | Padroni, G.,Parkinson, J.,Burley, G.A. (deposition date: 2017-07-04, release date: 2017-12-06, Last modification date: 2024-05-15) |
| Primary citation | Padroni, G.,Parkinson, J.A.,Fox, K.R.,Burley, G.A. Structural basis of DNA duplex distortion induced by thiazole-containing hairpin polyamides. Nucleic Acids Res., 46:42-53, 2018 Cited by PubMed Abstract: This manuscript reports the molecular basis for double-stranded DNA (dsDNA) binding of hairpin polyamides incorporating a 5-alkyl thiazole (Nt) unit. Hairpin polyamides containing an N-terminal Nt unit induce higher melting stabilisation of target dsDNA sequences relative to an archetypical hairpin polyamide incorporating an N-terminal imidazole (Im) unit. However, modification of the N-terminus from Im to Nt-building blocks results in an increase in dsDNA binding affinity but lower G-selectivity. A general G-selectivity trend is observed for Nt-containing polyamide analogues. G-selectivity increases as the steric bulk in the Nt 5-position increases. Solution-based NMR structural studies reveal differences in the modulation of the target DNA duplex of Nt-containing hairpin polyamides relative to the Im-containing archetype. A structural hallmark of an Nt polyamide•dsDNA complex is a more significant degree of major groove compression of the target dsDNA sequence relative to the Im-containing hairpin polyamide. PubMed: 29194552DOI: 10.1093/nar/gkx1211 PDB entries with the same primary citation |
| Experimental method | SOLUTION NMR |
Structure validation
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