1d45: Difference between revisions

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New page: left|200px<br /><applet load="1d45" size="450" color="white" frame="true" align="right" spinBox="true" caption="1d45, resolution 1.900Å" /> '''DNA DODECAMER C-G-C...
 
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[[Image:1d45.gif|left|200px]]<br /><applet load="1d45" size="450" color="white" frame="true" align="right" spinBox="true"
caption="1d45, resolution 1.900&Aring;" />
'''DNA DODECAMER C-G-C-G-A-A-T-T-C-G-C-G/HOECHST 33258 COMPLEX:-25 DEGREES C, PIPERAZINE DOWN'''<br />


==Overview==
==DNA DODECAMER C-G-C-G-A-A-T-T-C-G-C-G/HOECHST 33258 COMPLEX:-25 DEGREES C, PIPERAZINE DOWN==
The crystal structure of the complex of Hoechst 33258 and the DNA, dodecamer C-G-C-G-A-A-T-T-C-G-C-G has been solved from X-ray data, collected at three different low temperatures (0, -25, and -100 degrees, C). Such temperatures have permitted collection of higher resolution data, (2.0, 1.9, and 2.0 A, respectively) than with previous X-ray studies of, the same complex. In all three cases, the drug is located in the narrow, central A-A-T-T region of the minor groove. Data analyses at -25 and -100, degrees C (each with a 1:1 drug/DNA ratio in the crystallizing solution), suggest a unique orientation for the drug. In contrast, two orientations, of the drug were found equally possible at 0 degrees C with a 2:1 drug/DNA, ratio in solution. Dihedral angles between the rings of Hoechst 33258, appear to change in a temperature-dependent manner. The drug/DNA complex, is stabilized by single or bifurcated hydrogen bonds between the two N-H, hydrogen-bond donors in the benzimidazole rings of Hoechst and adenine N3, and thymine O2 acceptors in the minor groove. A general preference for AT, regions is conferred by electrostatic potential and by narrowing of the, walls of the groove. Local point-by-point AT specificity follows from, close van der Waals contacts between ring hydrogen atoms in Hoechst 33258, and the C2 hydrogens of adenines. Replacement of one benzimidazole ring by, purine in a longer chain analogue of Hoechst 33258 could make that, particular site GC tolerant in the manner observed at imidazole, substitution for pyrrole in lexitropsins.
<StructureSection load='1d45' size='340' side='right'caption='[[1d45]], [[Resolution|resolution]] 1.90&Aring;' scene=''>
 
== Structural highlights ==
==About this Structure==
<table><tr><td colspan='2'>[[1d45]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1D45 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1D45 FirstGlance]. <br>
1D45 is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/ ] with HT and MG as [http://en.wikipedia.org/wiki/ligands ligands]. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1D45 OCA].  
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.9&#8491;</td></tr>
 
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=HT:2-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5-BI-BENZIMIDAZOLE'>HT</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene></td></tr>
==Reference==
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1d45 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1d45 OCA], [https://pdbe.org/1d45 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1d45 RCSB], [https://www.ebi.ac.uk/pdbsum/1d45 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1d45 ProSAT]</span></td></tr>
Low-temperature crystallographic analyses of the binding of Hoechst 33258 to the double-helical DNA dodecamer C-G-C-G-A-A-T-T-C-G-C-G., Quintana JR, Lipanov AA, Dickerson RE, Biochemistry. 1991 Oct 22;30(42):10294-306. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=1718416 1718416]
</table>
[[Category: Protein complex]]
__TOC__
[[Category: Dickerson, R.E.]]
</StructureSection>
[[Category: Lipanov, A.A.]]
[[Category: Large Structures]]
[[Category: Quintana, J.R.]]
[[Category: Dickerson RE]]
[[Category: HT]]
[[Category: Lipanov AA]]
[[Category: MG]]
[[Category: Quintana JR]]
[[Category: b-dna]]
[[Category: complexed with drug]]
[[Category: double helix]]
 
''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Sun Nov 25 02:27:27 2007''

Latest revision as of 09:49, 7 February 2024

DNA DODECAMER C-G-C-G-A-A-T-T-C-G-C-G/HOECHST 33258 COMPLEX:-25 DEGREES C, PIPERAZINE DOWNDNA DODECAMER C-G-C-G-A-A-T-T-C-G-C-G/HOECHST 33258 COMPLEX:-25 DEGREES C, PIPERAZINE DOWN

Structural highlights

1d45 is a 2 chain structure. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:X-ray diffraction, Resolution 1.9Å
Ligands:,
Resources:FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

1d45, resolution 1.90Å

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