6AST
NMR and Restrained Molecular Dynamics Determination of the Structure of an Aza-Benzimidazole Derivative Complex with the DNA Minor Groove of an -AAGATA Sequence
Summary for 6AST
Entry DOI | 10.2210/pdb6ast/pdb |
NMR Information | BMRB: 30336 |
Descriptor | 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'), amino(4-{[(2-{4-[amino(iminio)methyl]phenyl}-3H-imidazo[4,5-b]pyridin-5-yl)oxy]methyl}phenyl)methaniminium (3 entities in total) |
Functional Keywords | small molecule, minor groove binder, mixed base pair recogniition, heterocyclic diamidine, dna |
Biological source | synthetic construct More |
Total number of polymer chains | 2 |
Total formula weight | 5858.07 |
Authors | Harika, N.K.,Germann, M.W.,Wilson, W.D. (deposition date: 2017-08-25, release date: 2018-01-31, Last modification date: 2024-05-01) |
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, 23:17612-17620, 2017 Cited by PubMed: 29044822DOI: 10.1002/chem.201704563 PDB entries with the same primary citation |
Experimental method | SOLUTION NMR |
Structure validation
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