2b3e

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[[Image:2b3e.gif|left|200px]]<br /><applet load="2b3e" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:2b3e.gif|left|200px]]
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caption="2b3e, resolution 1.36&Aring;" />
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'''Crystal structure of DB819-D(CGCGAATTCGCG)2 complex.'''<br />
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{{Structure
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|PDB= 2b3e |SIZE=350|CAPTION= <scene name='initialview01'>2b3e</scene>, resolution 1.36&Aring;
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|SITE=
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|LIGAND= <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene> and <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>
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|ACTIVITY=
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|GENE=
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}}
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'''Crystal structure of DB819-D(CGCGAATTCGCG)2 complex.'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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2B3E is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/ ] with <scene name='pdbligand=MG:'>MG</scene> and <scene name='pdbligand=DBN:'>DBN</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2B3E OCA].
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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].
==Reference==
==Reference==
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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://ispc.weizmann.ac.il//pmbin/getpm?pmid=16263285 16263285]
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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]
[[Category: Protein complex]]
[[Category: Protein complex]]
[[Category: Campbell, N H.]]
[[Category: Campbell, N H.]]
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[[Category: magnesium-water complex]]
[[Category: magnesium-water complex]]
[[Category: minor groove]]
[[Category: minor groove]]
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[[Category: nucleic acids]]
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[[Category: nucleic acid]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 16:33:42 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 15:57:03 2008''

Revision as of 13:57, 20 March 2008

Image:2b3e.gif


PDB ID 2b3e

Drag the structure with the mouse to rotate
, resolution 1.36Å
Ligands: and
Coordinates: save as pdb, mmCIF, xml



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

2B3E is a Protein complex structure of sequences from [1]. 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 Thu Mar 20 15:57:03 2008

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