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2b3e

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|PDB= 2b3e |SIZE=350|CAPTION= <scene name='initialview01'>2b3e</scene>, resolution 1.36&Aring;
|PDB= 2b3e |SIZE=350|CAPTION= <scene name='initialview01'>2b3e</scene>, resolution 1.36&Aring;
|SITE=
|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>
+
|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>
|ACTIVITY=
|ACTIVITY=
|GENE=
|GENE=
 +
|DOMAIN=
 +
|RELATEDENTRY=[[2dbe|2DBE]]
 +
|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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[[Category: Neidle, S.]]
[[Category: Neidle, S.]]
[[Category: Parkinson, G N.]]
[[Category: Parkinson, G N.]]
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[[Category: DBN]]
 
-
[[Category: MG]]
 
[[Category: a2t2]]
[[Category: a2t2]]
[[Category: crystal structure of b-dna]]
[[Category: crystal structure of b-dna]]
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[[Category: nucleic acid]]
[[Category: nucleic acid]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 15:57:03 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 02:00:53 2008''

Revision as of 23:00, 30 March 2008

Image:2b3e.gif


PDB ID 2b3e

Drag the structure with the mouse to rotate
, resolution 1.36Å
Ligands: , , , , ,
Related: 2DBE


Resources: FirstGlance, OCA, PDBsum, RCSB
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

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