2b3e

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[[Image:2b3e.gif|left|200px]]
[[Image:2b3e.gif|left|200px]]
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{{Structure
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<!--
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|PDB= 2b3e |SIZE=350|CAPTION= <scene name='initialview01'>2b3e</scene>, resolution 1.36&Aring;
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The line below this paragraph, containing "STRUCTURE_2b3e", creates the "Structure Box" on the page.
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|SITE=
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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|LIGAND= <scene name='pdbligand=DA:2&#39;-DEOXYADENOSINE-5&#39;-MONOPHOSPHATE'>DA</scene>, <scene name='pdbligand=DBN:6-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)-2-{5-[4-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)PHENYL]THIEN-2-YL}-1H-BENZIMIDAZOLE'>DBN</scene>, <scene name='pdbligand=DC:2&#39;-DEOXYCYTIDINE-5&#39;-MONOPHOSPHATE'>DC</scene>, <scene name='pdbligand=DG:2&#39;-DEOXYGUANOSINE-5&#39;-MONOPHOSPHATE'>DG</scene>, <scene name='pdbligand=DT:THYMIDINE-5&#39;-MONOPHOSPHATE'>DT</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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|ACTIVITY=
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or leave the SCENE parameter empty for the default display.
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|GENE=
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-->
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|DOMAIN=
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{{STRUCTURE_2b3e| PDB=2b3e | SCENE= }}
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|RELATEDENTRY=[[2dbe|2DBE]]
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2b3e FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2b3e OCA], [http://www.ebi.ac.uk/pdbsum/2b3e PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2b3e RCSB]</span>
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}}
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'''Crystal structure of DB819-D(CGCGAATTCGCG)2 complex.'''
'''Crystal structure of DB819-D(CGCGAATTCGCG)2 complex.'''
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==About this Structure==
==About this Structure==
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2B3E 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=2B3E OCA].
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Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2B3E OCA].
==Reference==
==Reference==
Targeting the DNA minor groove with fused ring dicationic compounds: comparison of in silico screening and a high-resolution crystal structure., Campbell NH, Evans DA, Lee MP, Parkinson GN, Neidle S, Bioorg Med Chem Lett. 2006 Jan 1;16(1):15-9. Epub 2005 Nov 2. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/16263285 16263285]
Targeting the DNA minor groove with fused ring dicationic compounds: comparison of in silico screening and a high-resolution crystal structure., Campbell NH, Evans DA, Lee MP, Parkinson GN, Neidle S, Bioorg Med Chem Lett. 2006 Jan 1;16(1):15-9. Epub 2005 Nov 2. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/16263285 16263285]
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[[Category: Protein complex]]
 
[[Category: Campbell, N H.]]
[[Category: Campbell, N H.]]
[[Category: Evans, D A.]]
[[Category: Evans, D A.]]
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[[Category: Neidle, S.]]
[[Category: Neidle, S.]]
[[Category: Parkinson, G N.]]
[[Category: Parkinson, G N.]]
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[[Category: a2t2]]
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[[Category: A2t2]]
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[[Category: crystal structure of b-dna]]
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[[Category: Crystal structure of b-dna]]
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[[Category: db819]]
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[[Category: Db819]]
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[[Category: dickerson and drew dodecamer]]
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[[Category: Dickerson and drew dodecamer]]
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[[Category: dna]]
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[[Category: Dna]]
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[[Category: dna hydration.]]
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[[Category: Dna hydration.]]
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[[Category: dna minor]]
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[[Category: Dna minor]]
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[[Category: dna minor groove-ligand complex]]
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[[Category: Dna minor groove-ligand complex]]
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[[Category: dna-drug complex]]
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[[Category: Dna-drug complex]]
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[[Category: double helix]]
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[[Category: Double helix]]
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[[Category: groove binder]]
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[[Category: Groove binder]]
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[[Category: hydrated magnesium]]
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[[Category: Hydrated magnesium]]
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[[Category: magnesium-water complex]]
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[[Category: Magnesium-water complex]]
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[[Category: minor groove]]
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[[Category: Minor groove]]
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[[Category: nucleic acid]]
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[[Category: Nucleic acid]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 19:48:12 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 02:00:53 2008''
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Revision as of 16:48, 3 May 2008

Image:2b3e.gif

Template:STRUCTURE 2b3e

Crystal structure of DB819-D(CGCGAATTCGCG)2 complex.


Overview

The crystal structure of the DNA minor groove biphenyl benzimidazole diamidine ligand DB819 has been determined, bound to the DNA sequence d(CGCGAATTCGCG)(2), at a resolution of 1.36 Angstrom. Conditions for reliable in silico docking that reproduce the observed position of the ligand in the minor groove have been determined.

About this Structure

Full crystallographic information is available from OCA.

Reference

Targeting the DNA minor groove with fused ring dicationic compounds: comparison of in silico screening and a high-resolution crystal structure., Campbell NH, Evans DA, Lee MP, Parkinson GN, Neidle S, Bioorg Med Chem Lett. 2006 Jan 1;16(1):15-9. Epub 2005 Nov 2. PMID:16263285 Page seeded by OCA on Sat May 3 19:48:12 2008

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