1qv4

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|PDB= 1qv4 |SIZE=350|CAPTION= <scene name='initialview01'>1qv4</scene>, resolution 2.5&Aring;
|PDB= 1qv4 |SIZE=350|CAPTION= <scene name='initialview01'>1qv4</scene>, resolution 2.5&Aring;
|SITE=
|SITE=
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|LIGAND= <scene name='pdbligand=MBB:2'-(3-METHYL-4-DIMETHYLAMINOPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE'>MBB</scene>
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|LIGAND= <scene name='pdbligand=MBB:2&#39;-(3-METHYL-4-DIMETHYLAMINOPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5&#39;-BI-BENZIMIDAZOLE'>MBB</scene>
|ACTIVITY=
|ACTIVITY=
|GENE=
|GENE=
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[[Category: minor groove binder]]
[[Category: minor groove binder]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 13:43:08 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 23 13:23:44 2008''

Revision as of 11:23, 23 March 2008

Image:1qv4.gif


PDB ID 1qv4

Drag the structure with the mouse to rotate
, resolution 2.5Å
Ligands:
Coordinates: save as pdb, mmCIF, xml



B-DNA Dodecamer CGTGAATTCACG complexed with minor groove binder methylproamine


Overview

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.

About this Structure

1QV4 is a Protein complex structure of sequences from [1]. Full crystallographic information is available from OCA.

Reference

In vitro studies with methylproamine: a potent new radioprotector., Martin RF, Broadhurst S, Reum ME, Squire CJ, Clark GR, Lobachevsky PN, White JM, Clark C, Sy D, Spotheim-Maurizot M, Kelly DP, Cancer Res. 2004 Feb 1;64(3):1067-70. PMID:14871839

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