1D64

CRYSTAL STRUCTURE OF A PENTAMIDINE-OLIGONUCLEOTIDE COMPLEX: IMPLICATIONS FOR DNA-BINDING PROPERTIES

1D64 の概要

• エントリーDOI: 10.2210/pdb1d64/pdb
• 分子名称: DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), 1,5-BIS(4-AMIDINOPHENOXY)PENTANE (3 entities in total)
• 機能のキーワード: b-dna, double helix, complexed with drug, dna
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 7667.20

構造登録者

Edwards, K.J.,Jenkins, T.C.,Neidle, S. (登録日: 1992-03-02, 公開日: 1993-01-15, 最終更新日: 2024-02-07)

主引用文献

Edwards, K.J.,Jenkins, T.C.,Neidle, S.
Crystal structure of a pentamidine-oligonucleotide complex: implications for DNA-binding properties.
Biochemistry, 31:7104-7109, 1992

PubMed Abstract: The crystal structure of the complex formed between the dodecanucleotide d(CGCGAATTCGCG)2 and the drug pentamidine, which is active against the Pneumocystis carinii pathogen in AIDS patients, has been determined to a resolution of 2.1 A and an R-factor of 19.4%. Analysis of the structure has shown the drug to be bound in the 5'-AATT minor groove region of the duplex, with the amidinium groups H-bonded to adenine N3 atoms in an interstrand manner. The drug molecule adopts an extended conformation, and the immediate binding site spans four base pairs. Structural details of the drug-DNA interactions are discussed, and comparison is made with the dodecamer complex of the structurally similar berenil ligand.

PubMed: 1643044
DOI: 10.1021/bi00146a011

実験手法

X-RAY DIFFRACTION (2.1 Å)