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| [[Image:1ftd.gif|left|200px]]
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| {{Structure
| | ==5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'-SYMMETRIC BIS-BENZIMIDAZOLE COMPLEX== |
| |PDB= 1ftd |SIZE=350|CAPTION= <scene name='initialview01'>1ftd</scene>, resolution 2.Å
| | <StructureSection load='1ftd' size='340' side='right'caption='[[1ftd]], [[Resolution|resolution]] 2.00Å' scene=''> |
| |SITE=
| | == Structural highlights == |
| |LIGAND= <scene name='pdbligand=DA:2'-DEOXYADENOSINE-5'-MONOPHOSPHATE'>DA</scene>, <scene name='pdbligand=DC:2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE'>DC</scene>, <scene name='pdbligand=DG:2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE'>DG</scene>, <scene name='pdbligand=DT:THYMIDINE-5'-MONOPHOSPHATE'>DT</scene>, <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>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>
| | <table><tr><td colspan='2'>[[1ftd]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1FTD OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1FTD FirstGlance]. <br> |
| |ACTIVITY=
| | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2Å</td></tr> |
| |GENE=
| | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=E97:[3-(4-{2-[4-(3-DIMETHYLAMINO-PROPOXY)-PHENYL]-3H,3H-[5,5]BIBENZOIMIDAZOLYL-2-YL}-PHENOXY)-PROPYL]-DIMETHYL-AMINE'>E97</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene></td></tr> |
| |DOMAIN=
| | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1ftd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1ftd OCA], [https://pdbe.org/1ftd PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1ftd RCSB], [https://www.ebi.ac.uk/pdbsum/1ftd PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1ftd ProSAT]</span></td></tr> |
| |RELATEDENTRY=
| | </table> |
| |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1ftd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1ftd OCA], [http://www.ebi.ac.uk/pdbsum/1ftd PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1ftd RCSB]</span>
| | __TOC__ |
| }}
| | </StructureSection> |
| | | [[Category: Large Structures]] |
| '''5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'-SYMMETRIC BIS-BENZIMIDAZOLE COMPLEX'''
| | [[Category: Baron A]] |
| | | [[Category: Johansson E]] |
| | | [[Category: Kelland LR]] |
| ==Overview==
| | [[Category: Mann J]] |
| 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.
| | [[Category: Neidle S]] |
| | | [[Category: Opoku-Boahen Y]] |
| ==About this Structure==
| | [[Category: Parkinson G]] |
| 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].
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| ==Reference==
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| 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]
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| [[Category: Protein complex]] | |
| [[Category: Baron, A.]] | |
| [[Category: Johansson, E.]] | |
| [[Category: Kelland, L R.]] | |
| [[Category: Mann, J.]] | |
| [[Category: Neidle, S.]] | |
| [[Category: Opoku-Boahen, Y.]] | |
| [[Category: Parkinson, G.]] | |
| [[Category: minor groove binding]]
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| ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 20:29:57 2008''
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