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[[Image:2adw.png|left|200px]]


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==Crystal structure of Echinomycin-(ACGTACGT)2 solved by SAD==
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<StructureSection load='2adw' size='340' side='right'caption='[[2adw]], [[Resolution|resolution]] 1.60&Aring;' scene=''>
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== Structural highlights ==
or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
<table><tr><td colspan='2'>[[2adw]] is a 8 chain structure with sequence from [https://en.wikipedia.org/wiki/Streptomyces_echinatus Streptomyces echinatus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2ADW OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2ADW FirstGlance]. <br>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.6&#8491;</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=DSN:D-SERINE'>DSN</scene>, <scene name='pdbligand=MES:2-(N-MORPHOLINO)-ETHANESULFONIC+ACID'>MES</scene>, <scene name='pdbligand=MVA:N-METHYLVALINE'>MVA</scene>, <scene name='pdbligand=N2C:N,S-DIMETHYLCYSTEINE'>N2C</scene>, <scene name='pdbligand=NCY:N-METHYLCYSTEINE'>NCY</scene>, <scene name='pdbligand=NI:NICKEL+(II)+ION'>NI</scene>, <scene name='pdbligand=QUI:2-CARBOXYQUINOXALINE'>QUI</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
{{STRUCTURE_2adw|  PDB=2adw  |  SCENE=  }}
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=2adw FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2adw OCA], [https://pdbe.org/2adw PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2adw RCSB], [https://www.ebi.ac.uk/pdbsum/2adw PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2adw ProSAT]</span></td></tr>
</table>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
A new crystal form was obtained for the complex between (ACGTACGT)2 and echinomycin and X-ray data were collected to 1.6 A. The structure was phased by the SAD method based on a single unexpected anomalous scatterer that could be identified as a mixture of nickel and zinc by measurements of the anomalous scattering at different wavelengths. This cation is coordinated by two guanines from two different duplexes and four water molecules. The structure resembles previously reported crystal structures of DNA-echinomycin complexes, except that three of the eight base pairs flanking the echinomycin bisintercalator sites have the Watson-Crick rather than the Hoogsteen configuration. Hoogsteen binding was found for the corresponding base pairs of the crystallographically independent duplex, indicating that the two configurations are very close in energy.


===Crystal strucutre of Echinomycin-(ACGTACGT)2 solved by SAD===
Serendipitous SAD phasing of an echinomycin-(ACGTACGT)2 bisintercalation complex.,Cuesta-Seijo JA, Weiss MS, Sheldrick GM Acta Crystallogr D Biol Crystallogr. 2006 Apr;62(Pt 4):417-24. Epub 2006, Mar 18. PMID:16552143<ref>PMID:16552143</ref>


 
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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== References ==
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<references/>
{{ABSTRACT_PUBMED_16552143}}
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</StructureSection>
==About this Structure==
[[Category: Large Structures]]
[[2adw]] is a 8 chain structure with sequence from [http://en.wikipedia.org/wiki/Streptomyces_echinatus Streptomyces echinatus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2ADW OCA].
 
==Reference==
<ref group="xtra">PMID:016552143</ref><references group="xtra"/>
[[Category: Streptomyces echinatus]]
[[Category: Streptomyces echinatus]]
[[Category: Cuesta-Seijo, J A.]]
[[Category: Cuesta-Seijo JA]]
[[Category: Sheldrick, G M.]]
[[Category: Sheldrick GM]]
[[Category: Antibiotic]]
[[Category: Antitumor]]
[[Category: Bisintercalator]]
[[Category: Depsipeptide]]
[[Category: Dna-antibiotic complex]]
[[Category: Hoogsteen basepair]]
[[Category: Quinoxaline]]
[[Category: Thioacetal]]

Latest revision as of 11:17, 15 May 2024

Crystal structure of Echinomycin-(ACGTACGT)2 solved by SADCrystal structure of Echinomycin-(ACGTACGT)2 solved by SAD

Structural highlights

2adw is a 8 chain structure with sequence from Streptomyces echinatus. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:X-ray diffraction, Resolution 1.6Å
Ligands:, , , , , , ,
Resources:FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Publication Abstract from PubMed

A new crystal form was obtained for the complex between (ACGTACGT)2 and echinomycin and X-ray data were collected to 1.6 A. The structure was phased by the SAD method based on a single unexpected anomalous scatterer that could be identified as a mixture of nickel and zinc by measurements of the anomalous scattering at different wavelengths. This cation is coordinated by two guanines from two different duplexes and four water molecules. The structure resembles previously reported crystal structures of DNA-echinomycin complexes, except that three of the eight base pairs flanking the echinomycin bisintercalator sites have the Watson-Crick rather than the Hoogsteen configuration. Hoogsteen binding was found for the corresponding base pairs of the crystallographically independent duplex, indicating that the two configurations are very close in energy.

Serendipitous SAD phasing of an echinomycin-(ACGTACGT)2 bisintercalation complex.,Cuesta-Seijo JA, Weiss MS, Sheldrick GM Acta Crystallogr D Biol Crystallogr. 2006 Apr;62(Pt 4):417-24. Epub 2006, Mar 18. PMID:16552143[1]

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

References

  1. Cuesta-Seijo JA, Weiss MS, Sheldrick GM. Serendipitous SAD phasing of an echinomycin-(ACGTACGT)2 bisintercalation complex. Acta Crystallogr D Biol Crystallogr. 2006 Apr;62(Pt 4):417-24. Epub 2006, Mar 18. PMID:16552143 doi:S0907444906003763

2adw, resolution 1.60Å

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