407D

STRUCTURAL BASIS FOR RECOGNITION OF A-T AND T-A BASE PAIRS IN THE MINOR GROOVE OF B-DNA

407D の概要

• エントリーDOI: 10.2210/pdb407d/pdb
• 分子名称: DNA (5'-D(*CP*CP*AP*GP*TP*AP*CP*TP*GP*G)-3'), ~{N}-[5-[[5-[[5-[[3-[3-(dimethylamino)propylamino]-3-oxidanylidene-propyl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-4-oxidanyl-pyrrol-3-yl]-1-methyl-imidazole-2-carboxamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... (4 entities in total)
• 機能のキーワード: drugs in the dna minor groove, dna
• 由来する生物種: synthetic construct
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 7539.60

構造登録者

Rees, D.C. (登録日: 1998-06-24, 公開日: 1998-10-19, 最終更新日: 2024-02-28)

主引用文献

Kielkopf, C.L.,White, S.,Szewczyk, J.W.,Turner, J.M.,Baird, E.E.,Dervan, P.B.,Rees, D.C.
A structural basis for recognition of A.T and T.A base pairs in the minor groove of B-DNA.
Science, 282:111-115, 1998

PubMed Abstract: Polyamide dimers containing three types of aromatic rings-pyrrole, imidazole, and hydroxypyrrole-afford a small-molecule recognition code that discriminates among all four Watson-Crick base pairs in the minor groove. The crystal structure of a specific polyamide dimer-DNA complex establishes the structural basis for distinguishing T.A from A.T base pairs. Specificity for the T.A base pair is achieved by means of distinct hydrogen bonds between pairs of substituted pyrroles on the ligand and the O2 of thymine and N3 of adenine. In addition, shape-selective recognition of an asymmetric cleft between the thymine-O2 and the adenine-C2 was observed. Although hitherto similarities among the base pairs in the minor groove have been emphasized, the structure illustrates differences that allow specific minor groove recognition.

PubMed: 9756473
DOI: 10.1126/science.282.5386.111

実験手法

X-RAY DIFFRACTION (2.2 Å)