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New page: left|200px<br /> <applet load="1gwd" size="450" color="white" frame="true" align="right" spinBox="true" caption="1gwd, resolution 1.77Å" /> '''TRI-IODIDE DERIVATI...
 
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[[Image:1gwd.gif|left|200px]]<br />
<applet load="1gwd" size="450" color="white" frame="true" align="right" spinBox="true"
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'''TRI-IODIDE DERIVATIVE OF HEN EGG-WHITE LYSOZYME'''<br />


==Overview==
==Tri-iodide derivative of hen egg-white lysozyme==
A series of experiments performed at Cu Kalpha wavelength on in-house, X-ray equipment are presented which investigate two possibilities for, enhancing the experimental phasing signal by means of (i) triiodide/iodide, soaks using KI/I(2) and (ii) combinations of counter-ions introduced using, the short cryosoak method. Triiodide-derivative crystal structures for, five test proteins have been refined and reveal that iodine can bind as, polyiodide and single iodide ions through hydrophobic and hydrogen-bonding, interactions both at the molecular surface and in intramolecular and, intermolecular cavities. In three cases, the structures could be, automatically determined with autoSHARP using in-house SAD and SIRAS data., The investigation of combinatorial counter-ion replacement using ... [[http://ispc.weizmann.ac.il/pmbin/getpm?12037300 (full description)]]
<StructureSection load='1gwd' size='340' side='right'caption='[[1gwd]], [[Resolution|resolution]] 1.77&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[1gwd]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Gallus_gallus Gallus gallus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1GWD OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1GWD FirstGlance]. <br>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.77&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=CMO:CARBON+MONOXIDE'>CMO</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=IOD:IODIDE+ION'>IOD</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene></td></tr>
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1gwd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1gwd OCA], [https://pdbe.org/1gwd PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1gwd RCSB], [https://www.ebi.ac.uk/pdbsum/1gwd PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1gwd ProSAT]</span></td></tr>
</table>
== Evolutionary Conservation ==
[[Image:Consurf_key_small.gif|200px|right]]
Check<jmol>
  <jmolCheckbox>
    <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/gw/1gwd_consurf.spt"</scriptWhenChecked>
    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview03.spt</scriptWhenUnchecked>
    <text>to colour the structure by Evolutionary Conservation</text>
  </jmolCheckbox>
</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=1gwd ConSurf].
<div style="clear:both"></div>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
A series of experiments performed at Cu Kalpha wavelength on in-house X-ray equipment are presented which investigate two possibilities for enhancing the experimental phasing signal by means of (i) triiodide/iodide soaks using KI/I(2) and (ii) combinations of counter-ions introduced using the short cryosoak method. Triiodide-derivative crystal structures for five test proteins have been refined and reveal that iodine can bind as polyiodide and single iodide ions through hydrophobic and hydrogen-bonding interactions both at the molecular surface and in intramolecular and intermolecular cavities. In three cases, the structures could be automatically determined with autoSHARP using in-house SAD and SIRAS data. The investigation of combinatorial counter-ion replacement using multiple salts with Na(+) and Cs(+) as cations and I(-) and Cl(-) as anions reveals that, for the case of hen egg-white lysozyme, significant improvement in phasing signal is obtained by the combined use of salts compared with SIRAS methods using native and single short-soak derivative data sets.


==About this Structure==
Triiodide derivatization and combinatorial counter-ion replacement: two methods for enhancing phasing signal using laboratory Cu Kalpha X-ray equipment.,Evans G, Bricogne G Acta Crystallogr D Biol Crystallogr. 2002 Jun;58(Pt 6 Pt 2):976-91. Epub, 2002 May 29. PMID:12037300<ref>PMID:12037300</ref>
1GWD is a [[http://en.wikipedia.org/wiki/Single_protein Single protein]] structure of sequence from [[http://en.wikipedia.org/wiki/ ]] with IOD, CL, NA, EDO and CMO as [[http://en.wikipedia.org/wiki/ligands ligands]]. Active as [[http://en.wikipedia.org/wiki/ ]], with EC number [[http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.17 3.2.1.17]]. Full crystallographic information is available from [[http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1GWD OCA]].


==Reference==
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
Triiodide derivatization and combinatorial counter-ion replacement: two methods for enhancing phasing signal using laboratory Cu Kalpha X-ray equipment., Evans G, Bricogne G, Acta Crystallogr D Biol Crystallogr. 2002 Jun;58(Pt 6 Pt 2):976-91. Epub, 2002 May 29. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=12037300 12037300]
</div>
[[Category: Single protein]]
<div class="pdbe-citations 1gwd" style="background-color:#fffaf0;"></div>
[[Category: Bricogne, G.]]
[[Category: Evans, G.]]
[[Category: CL]]
[[Category: CMO]]
[[Category: EDO]]
[[Category: IOD]]
[[Category: NA]]
[[Category: aller]]
[[Category: bacteriolytic enzyme]]
[[Category: glycosidase]]
[[Category: hydrolase]]
[[Category: signal]]


''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Mon Oct 29 16:17:50 2007''
==See Also==
*[[Lysozyme 3D structures|Lysozyme 3D structures]]
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Gallus gallus]]
[[Category: Large Structures]]
[[Category: Bricogne G]]
[[Category: Evans G]]

Latest revision as of 00:01, 21 November 2024

Tri-iodide derivative of hen egg-white lysozyme

1gwd, resolution 1.77Å

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