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New page: left|200px<br /><applet load="1inc" size="450" color="white" frame="true" align="right" spinBox="true" caption="1inc, resolution 1.94Å" /> '''CRYSTAL STRUCTURES O...
 
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[[Image:1inc.jpg|left|200px]]<br /><applet load="1inc" size="450" color="white" frame="true" align="right" spinBox="true"
caption="1inc, resolution 1.94&Aring;" />
'''CRYSTAL STRUCTURES OF THE COMPLEX OF PORCINE PANCREATIC ELASTASE WITH TWO VALINE-DERIVED BENZOXAZINONE INHIBITORS'''<br />


==Overview==
==CRYSTAL STRUCTURES OF THE COMPLEX OF PORCINE PANCREATIC ELASTASE WITH TWO VALINE-DERIVED BENZOXAZINONE INHIBITORS==
The crystal structures of porcine pancreatic elastase complexed to two, similar benzoxazinone inhibitors are reported to 2.09 A and 1.76 A, resolution, and refined to conventional R factors of 0.153 and 0.172.
<StructureSection load='1inc' size='340' side='right'caption='[[1inc]], [[Resolution|resolution]] 1.94&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[1inc]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Sus_scrofa_domesticus Sus scrofa domesticus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1INC OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1INC 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]] 1.94&#8491;</td></tr>
<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=ICL:[1-(3-CHLORO-2-FORMYL-PHENYLCARBAMOYL)-2-METHYL-PROPYL]-CARBAMIC+ACID+TERT-BUTYL+ESTER'>ICL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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=1inc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1inc OCA], [https://pdbe.org/1inc PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1inc RCSB], [https://www.ebi.ac.uk/pdbsum/1inc PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1inc ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/CELA1_PIG CELA1_PIG] Acts upon elastin.
== 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/in/1inc_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=1inc ConSurf].
<div style="clear:both"></div>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
The crystal structures of porcine pancreatic elastase complexed to two similar benzoxazinone inhibitors are reported to 2.09 A and 1.76 A resolution, and refined to conventional R factors of 0.153 and 0.172.


==About this Structure==
Crystal structures of the complex of porcine pancreatic elastase with two valine-derived benzoxazinone inhibitors.,Radhakrishnan R, Presta LG, Meyer EF Jr, Wildonger R J Mol Biol. 1987 Dec 5;198(3):417-24. PMID:3430613<ref>PMID:3430613</ref>
1INC is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Sus_scrofa_domestica Sus scrofa domestica] with SO4, CA and ICL 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] Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1INC OCA].


==Reference==
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
Crystal structures of the complex of porcine pancreatic elastase with two valine-derived benzoxazinone inhibitors., Radhakrishnan R, Presta LG, Meyer EF Jr, Wildonger R, J Mol Biol. 1987 Dec 5;198(3):417-24. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=3430613 3430613]
</div>
[[Category: Pancreatic elastase]]
<div class="pdbe-citations 1inc" style="background-color:#fffaf0;"></div>
[[Category: Single protein]]
[[Category: Sus scrofa domestica]]
[[Category: Meyer, E.]]
[[Category: CA]]
[[Category: ICL]]
[[Category: SO4]]
[[Category: hydrolase(serine proteinase)]]


''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Nov 20 17:31:12 2007''
==See Also==
*[[Elastase 3D structures|Elastase 3D structures]]
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Large Structures]]
[[Category: Sus scrofa domesticus]]
[[Category: Meyer E]]

Latest revision as of 06:46, 30 October 2024

CRYSTAL STRUCTURES OF THE COMPLEX OF PORCINE PANCREATIC ELASTASE WITH TWO VALINE-DERIVED BENZOXAZINONE INHIBITORS

1inc, resolution 1.94Å

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