1IMS

MOLECULAR STRUCTURE OF THE HALOGENATED ANTI-CANCER DRUG IODODOXORUBICIN COMPLEXED WITH D(TGTACA) AND D(CGATCG)

1IMS の概要

• エントリーDOI: 10.2210/pdb1ims/pdb
• 分子名称: DNA (5'-D(*CP*GP*AP*TP*CP*G)-3'), 4'-DEOXY-4'-IODODOXORUBICIN (3 entities in total)
• 機能のキーワード: right handed dna, double helix, complexed with drug, dna
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 2463.64

構造登録者

Berger, I.,Su, L.,Spitzner, J.R.,Kang, C.,Burke, T.G.,Rich, A. (登録日: 1995-10-23, 公開日: 1996-04-04, 最終更新日: 2024-02-07)

主引用文献

Berger, I.,Su, L.,Spitzner, J.R.,Kang, C.,Burke, T.G.,Rich, A.
Molecular structure of the halogenated anti-cancer drug iododoxorubicin complexed with d(TGTACA) and d(CGATCG).
Nucleic Acids Res., 23:4488-4494, 1995

PubMed Abstract: 4'-Deoxy-4'-iododoxorubicin, a halogenated anthracycline derivative, is an anticancer agent currently under Phase II clinical trials. In preclinical studies, it has demonstrated significantly reduced levels of cardiotoxicity compared to currently employed anthracyclines. It also has modified pharmacological properties resulting in an altered spectrum of experimental antitumor activity. The iodine atom at the 4' position of the sugar ring reduces the basicity and enhances the lipophilicity of this compound as compared to related anthracycline drugs. We report here single crystal X-ray diffraction studies of the complexes of 4'-deoxy-4'-iododoxorubicin with the hexanucleotide duplex sequences d(TGTACA) and d(CGATCG) at 1.6 and 1.5 A, respectively. The iodine substituent does not alter the geometry of intercalation as compared to previously solved anthracycline complexes, but appears to markedly affect the solvent environment of the structures. This could have consequences for the interaction of this drug with DNA and DNA binding proteins in cells.

PubMed: 7501474
DOI: 10.1093/nar/23.21.4488

実験手法

X-RAY DIFFRACTION (1.5 Å)