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1ftd
From Proteopedia
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| - | [[Image:1ftd.gif|left|200px]] | + | [[Image:1ftd.gif|left|200px]] |
| - | + | ||
| - | '''5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'-SYMMETRIC BIS-BENZIMIDAZOLE COMPLEX''' | + | {{Structure |
| + | |PDB= 1ftd |SIZE=350|CAPTION= <scene name='initialview01'>1ftd</scene>, resolution 2.Å | ||
| + | |SITE= | ||
| + | |LIGAND= <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene> and <scene name='pdbligand=E97:[3-(4-{2'-[4-(3-DIMETHYLAMINO-PROPOXY)-PHENYL]-3H,3'H-[5,5']BIBENZOIMIDAZOLYL-2-YL}-PHENOXY)-PROPYL]-DIMETHYL-AMINE'>E97</scene> | ||
| + | |ACTIVITY= | ||
| + | |GENE= | ||
| + | }} | ||
| + | |||
| + | '''5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'-SYMMETRIC BIS-BENZIMIDAZOLE COMPLEX''' | ||
| + | |||
==Overview== | ==Overview== | ||
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==About this Structure== | ==About this Structure== | ||
| - | 1FTD is a [ | + | 1FTD is a [[Protein complex]] structure of sequences from [http://en.wikipedia.org/wiki/ ]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1FTD OCA]. |
==Reference== | ==Reference== | ||
| - | A new class of symmetric bisbenzimidazole-based DNA minor groove-binding agents showing antitumor activity., Mann J, Baron A, Opoku-Boahen Y, Johansson E, Parkinson G, Kelland LR, Neidle S, J Med Chem. 2001 Jan 18;44(2):138-44. PMID:[http:// | + | A new class of symmetric bisbenzimidazole-based DNA minor groove-binding agents showing antitumor activity., Mann J, Baron A, Opoku-Boahen Y, Johansson E, Parkinson G, Kelland LR, Neidle S, J Med Chem. 2001 Jan 18;44(2):138-44. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/11170623 11170623] |
[[Category: Protein complex]] | [[Category: Protein complex]] | ||
[[Category: Baron, A.]] | [[Category: Baron, A.]] | ||
| Line 23: | Line 32: | ||
[[Category: minor groove binding]] | [[Category: minor groove binding]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 11:13:47 2008'' |
Revision as of 09:13, 20 March 2008
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| , resolution 2.Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | and | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'-SYMMETRIC BIS-BENZIMIDAZOLE COMPLEX
Overview
The synthesis and evaluation of the novel head-to-head bisbenzimidazole compound 2,2-bis[4'-(3' '-dimethylamino-1' '-propyloxy)phenyl]-5,5-bi-1H-benzimidazole is described. An X-ray crystallographic study of a complex with the DNA dodecanucleotide sequence d(CGCGAATTCGCG) shows the compound bound in the A/T minor groove region of a B-DNA duplex and that the head-to-head bisbenzimidazole motif hydrogen-bonds to the edges of all four consecutive A:T base pairs. The compound showed potent growth inhibition with a mean IC(50) across an ovarian carcinoma cell line panel of 0.31 microM, with no significant cross-resistance in two acquired cisplatin-resistant cell lines and a low level of cross-resistance in the P-glycoprotein overexpressing acquired doxorubicin-resistant cell line. Studies with the hollow fiber assay and in vivo tumor xenografts showed some evidence of antitumor activity.
About this Structure
1FTD is a Protein complex structure of sequences from [1]. Full crystallographic information is available from OCA.
Reference
A new class of symmetric bisbenzimidazole-based DNA minor groove-binding agents showing antitumor activity., Mann J, Baron A, Opoku-Boahen Y, Johansson E, Parkinson G, Kelland LR, Neidle S, J Med Chem. 2001 Jan 18;44(2):138-44. PMID:11170623
Page seeded by OCA on Thu Mar 20 11:13:47 2008
