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264d

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|PDB= 264d |SIZE=350|CAPTION= <scene name='initialview01'>264d</scene>, resolution 2.440&Aring;
|PDB= 264d |SIZE=350|CAPTION= <scene name='initialview01'>264d</scene>, resolution 2.440&Aring;
|SITE=
|SITE=
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|LIGAND= <scene name='pdbligand=HT:2&#39;-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5&#39;-BI-BENZIMIDAZOLE'>HT</scene>
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|LIGAND= <scene name='pdbligand=DA:2&#39;-DEOXYADENOSINE-5&#39;-MONOPHOSPHATE'>DA</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=HT:2&#39;-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5&#39;-BI-BENZIMIDAZOLE'>HT</scene>
|ACTIVITY=
|ACTIVITY=
|GENE=
|GENE=
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|DOMAIN=
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|RELATEDENTRY=
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=264d FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=264d OCA], [http://www.ebi.ac.uk/pdbsum/264d PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=264d RCSB]</span>
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[[Category: Rich, A.]]
[[Category: Rich, A.]]
[[Category: Vega, M C.]]
[[Category: Vega, M C.]]
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[[Category: HT]]
 
[[Category: b-dna]]
[[Category: b-dna]]
[[Category: complexed with drug]]
[[Category: complexed with drug]]
[[Category: double helix]]
[[Category: double helix]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 23 14:33:27 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 01:45:36 2008''

Revision as of 22:45, 30 March 2008

Image:264d.jpg


PDB ID 264d

Drag the structure with the mouse to rotate
, resolution 2.440Å
Ligands: , , , ,
Resources: FirstGlance, OCA, PDBsum, RCSB
Coordinates: save as pdb, mmCIF, xml



THREE-DIMENSIONAL CRYSTAL STRUCTURE OF THE A-TRACT DNA DODECAMER D(CGCAAATTTGCG) COMPLEXED WITH THE MINOR-GROOVE-BINDING DRUG HOECHST 33258


Overview

The molecular structure of the DNA A-tract dodecamer d(CGCAAATTTGCG) complexed with the drug Hoechst 33258 has been determined by X-ray diffraction analysis. The Hoechst molecule binds in the DNA minor groove covering the sequence AATTT of the central A-tract, with the piperazine group close to one of the GC regions. The drug molecule makes two three-centered hydrogen bonds from the nitrogen atoms of the benzimidazole rings to the N3 and O2 atoms of the DNA bases. Although a high propeller twist is observed in the A-tract, only one unsymmetrical three-centered hydrogen bond is present in the DNA major groove. The structure is compared with other minor-groove-binding drug complexes and the influence of these drugs on DNA A-tracts is discussed.

About this Structure

264D is a Protein complex structure of sequences from [1]. Full crystallographic information is available from OCA.

Reference

Three-dimensional crystal structure of the A-tract DNA dodecamer d(CGCAAATTTGCG) complexed with the minor-groove-binding drug Hoechst 33258., Vega MC, Garcia Saez I, Aymami J, Eritja R, Van der Marel GA, Van Boom JH, Rich A, Coll M, Eur J Biochem. 1994 Jun 15;222(3):721-6. PMID:7517864

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