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2KVY

NMR solution structure of the 4:1 complex between an uncharged distamycin A analogue and [d(TGGGGT)]4

2KVY の概要
エントリーDOI10.2210/pdb2kvy/pdb
分子名称DNA (5'-D(*TP*GP*GP*GP*GP*T)-3'), 4-amino-1-methyl-N-{1-methyl-5-[(1-methyl-5-{[3-(methylamino)-3-oxopropyl]carbamoyl}-1H-pyrrol-3-yl)carbamoyl]-1H-pyrrol-3-yl}-1H-pyrrole-2-carboxamide (2 entities in total)
機能のキーワードg-quadruplex, coulombic interactions, nmr titration, distamycin a, structure calculations, isothermal titration calorimetry (itc), dna
タンパク質・核酸の鎖数4
化学式量合計9395.04
構造登録者
主引用文献Cosconati, S.,Marinelli, L.,Trotta, R.,Virno, A.,De Tito, S.,Romagnoli, R.,Pagano, B.,Limongelli, V.,Giancola, C.,Baraldi, P.G.,Mayol, L.,Novellino, E.,Randazzo, A.
Structural and conformational requisites in DNA quadruplex groove binding: another piece to the puzzle.
J.Am.Chem.Soc., 132:6425-6433, 2010
Cited by
PubMed Abstract: The study of DNA G-quadruplex stabilizers has enjoyed a great momentum in the late years due to their application as anticancer agents. The recognition of the grooves of these structural motifs is expected to result in a higher degree of selectivity over other DNA structures. Therefore, to achieve an enhanced knowledge on the structural and conformational requisites for quadruplex groove recognition, distamycin A, the only compound for which a pure groove binding has been proven, has been chemically modified. Surprisingly, structural and thermodynamic studies revealed that the absence of Coulombic interactions results in an unprecedented binding position in which both the groove and the 3' end of the DNA are occupied. This further contribution adds another piece to the so far elusive puzzle of the recognition between ligands and DNA quadruplexes and will serve as a platform for a rational design of new groove binders.
PubMed: 20394365
DOI: 10.1021/ja1003872
主引用文献が同じPDBエントリー
実験手法
SOLUTION NMR
構造検証レポート
Validation report summary of 2kvy
検証レポート(詳細版)ダウンロードをダウンロード

248636

件を2026-02-04に公開中

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