1QV8

B-DNA Dodecamer d(CGCGAATTCGCG)2 complexed with proamine

Summary for 1QV8

• Entry DOI: 10.2210/pdb1qv8/pdb
• Related: 1QV4
• Descriptor: 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', 2'-(4-DIMETHYLAMINOPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE (3 entities in total)
• Functional Keywords: b-dna, minor groove binder, dna
• Total number of polymer chains: 2
• Total formula weight: 7778.35

Authors

Squire, C.J.,Clark, G.R. (deposition date: 2003-08-27, release date: 2004-09-07, Last modification date: 2024-02-14)

Primary citation

Martin, R.F.,Broadhurst, S.,Reum, M.E.,Squire, C.J.,Clark, G.R.,Lobachevsky, P.N.,White, J.M.,Clark, C.,Sy, D.,Spotheim-Maurizot, M.,Kelly, D.P.
In vitro studies with methylproamine: a potent new radioprotector.
Cancer Res., 64:1067-1070, 2004

PubMed Abstract: New analogues of the minor groove binding ligand Hoechst 33342 have been investigated in an attempt to improve radioprotective activity. The synthesis, DNA binding, and in vitro radioprotective properties of methylproamine, the most potent derivative, are reported. Experiments with V79 cells have shown that methylproamine is approximately 100-fold more potent than the classical aminothiol radioprotector WR1065. The crystal structures of methylproamine and proamine complexes with the dodecamer d(CGCGAATTCGCG)(2) confirm that the new analogues also are minor groove binders. It is proposed that the DNA-bound methylproamine ligand acts as a reducing agent by an electron transfer mechanism, repairing transient radiation-induced oxidizing species on DNA.

PubMed: 14871839
DOI: 10.1158/0008-5472.CAN-03-2423

Experimental method

X-RAY DIFFRACTION (2.5 Å)