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1gwa

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[[Image:1gwa.gif|left|200px]]<br />
 
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<applet load="1gwa" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="1gwa, resolution 1.85&Aring;" />
 
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'''TRIIODIDE DERIVATIVE OF PORCINE PANCREAS ELASTASE'''<br />
 
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==Overview==
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==Triiodide derivative of porcine pancreas elastase==
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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.
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<StructureSection load='1gwa' size='340' side='right'caption='[[1gwa]], [[Resolution|resolution]] 1.85&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1gwa]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Sus_scrofa Sus scrofa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1GWA OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1GWA 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]] 1.85&#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=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=IOD:IODIDE+ION'>IOD</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1gwa FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1gwa OCA], [https://pdbe.org/1gwa PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1gwa RCSB], [https://www.ebi.ac.uk/pdbsum/1gwa PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1gwa ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/CELA1_PIG CELA1_PIG] Acts upon elastin.
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== Evolutionary Conservation ==
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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<jmolCheckbox>
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/gw/1gwa_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
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<text>to colour the structure by Evolutionary Conservation</text>
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</jmolCheckbox>
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</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=1gwa ConSurf].
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<div style="clear:both"></div>
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==About this Structure==
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==See Also==
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1GWA is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Sus_scrofa Sus scrofa] with CA, SO4 and IOD as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Pancreatic_elastase Pancreatic elastase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.36 3.4.21.36] Structure known Active Site: CAA. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1GWA OCA].
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*[[Elastase 3D structures|Elastase 3D structures]]
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__TOC__
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==Reference==
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</StructureSection>
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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]
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[[Category: Large Structures]]
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[[Category: Pancreatic elastase]]
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[[Category: Single protein]]
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[[Category: Sus scrofa]]
[[Category: Sus scrofa]]
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[[Category: Bricogne, G.]]
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[[Category: Bricogne G]]
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[[Category: Evans, G.]]
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[[Category: Evans G]]
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[[Category: CA]]
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[[Category: IOD]]
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[[Category: SO4]]
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[[Category: hydrolase]]
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[[Category: serine protease]]
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[[Category: signal]]
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[[Category: zymogen]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Mon Nov 5 12:35:52 2007''
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Current revision

Triiodide derivative of porcine pancreas elastase

PDB ID 1gwa

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