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

6AST の概要

• エントリーDOI: 10.2210/pdb6ast/pdb
• NMR情報: BMRB: 30336
• 分子名称: 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)
• 機能のキーワード: small molecule, minor groove binder, mixed base pair recogniition, heterocyclic diamidine, dna
• 由来する生物種: synthetic construct; 詳細
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 5858.07

構造登録者

Harika, N.K.,Germann, M.W.,Wilson, W.D. (登録日: 2017-08-25, 公開日: 2018-01-31, 最終更新日: 2020-01-01)

• 主引用文献: 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; PubMed: 29044822; DOI: 10.1002/chem.201704563

実験手法

SOLUTION NMR