2fof: Difference between revisions
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==Structure of porcine pancreatic elastase in 80% isopropanol== | ==Structure of porcine pancreatic elastase in 80% isopropanol== | ||
<StructureSection load='2fof' size='340' side='right' caption='[[2fof]], [[Resolution|resolution]] 2.20Å' scene=''> | <StructureSection load='2fof' size='340' side='right' caption='[[2fof]], [[Resolution|resolution]] 2.20Å' scene=''> | ||
== Structural highlights == | == Structural highlights == | ||
<table><tr><td colspan='2'>[[2fof]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/ | <table><tr><td colspan='2'>[[2fof]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Pig Pig]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2FOF OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2FOF FirstGlance]. <br> | ||
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=IPA:ISOPROPYL+ALCOHOL'>IPA</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr> | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=IPA:ISOPROPYL+ALCOHOL'>IPA</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr> | ||
<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[2fo9|2fo9]], [[2foa|2foa]], [[2fob|2fob]], [[2foc|2foc]], [[2fod|2fod]], [[2foe|2foe]], [[2fog|2fog]], [[2foh|2foh]]</td></tr> | <tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[2fo9|2fo9]], [[2foa|2foa]], [[2fob|2fob]], [[2foc|2foc]], [[2fod|2fod]], [[2foe|2foe]], [[2fog|2fog]], [[2foh|2foh]]</td></tr> | ||
<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[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] </span></td></tr> | <tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[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] </span></td></tr> | ||
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2fof FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2fof OCA], [http://pdbe.org/2fof PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2fof RCSB], [http://www.ebi.ac.uk/pdbsum/2fof PDBsum]</span></td></tr> | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2fof FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2fof OCA], [http://pdbe.org/2fof PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2fof RCSB], [http://www.ebi.ac.uk/pdbsum/2fof PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2fof ProSAT]</span></td></tr> | ||
</table> | </table> | ||
== Function == | == Function == | ||
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</div> | </div> | ||
<div class="pdbe-citations 2fof" style="background-color:#fffaf0;"></div> | <div class="pdbe-citations 2fof" style="background-color:#fffaf0;"></div> | ||
== References == | == References == | ||
<references/> | <references/> | ||
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</StructureSection> | </StructureSection> | ||
[[Category: Pancreatic elastase]] | [[Category: Pancreatic elastase]] | ||
[[Category: | [[Category: Pig]] | ||
[[Category: Bellamacina, C R]] | [[Category: Bellamacina, C R]] | ||
[[Category: Mattos, C]] | [[Category: Mattos, C]] | ||
Revision as of 10:41, 18 October 2017
Structure of porcine pancreatic elastase in 80% isopropanolStructure of porcine pancreatic elastase in 80% isopropanol
Structural highlights
Function[CELA1_PIG] Acts upon elastin. Evolutionary Conservation Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf. Publication Abstract from PubMedMultiple solvent crystal structures (MSCS) of porcine pancreatic elastase were used to map the binding surface the enzyme. Crystal structures of elastase in neat acetonitrile, 95% acetone, 55% dimethylformamide, 80% 5-hexene-1,2-diol, 80% isopropanol, 80% ethanol and 40% trifluoroethanol showed that the organic solvent molecules clustered in the active site, were found mostly unclustered in crystal contacts and in general did not bind elsewhere on the surface of elastase. Mixtures of 40% benzene or 40% cyclohexane in 50% isopropanol and 10% water showed no bound benzene or cyclohexane molecules, but did reveal bound isopropanol. The clusters of organic solvent probe molecules coincide with pockets occupied by known inhibitors. MSCS also reveal the areas of plasticity within the elastase binding site and allow for the visualization of a nearly complete first hydration shell. The pattern of organic solvent clusters determined by MSCS for elastase is consistent with patterns for hot spots in protein-ligand interactions determined from database analysis in general. The MSCS method allows probing of hot spots, plasticity and hydration simultaneously, providing a powerful complementary strategy to guide computational methods currently in development for binding site determination, ligand docking and design. Multiple solvent crystal structures: probing binding sites, plasticity and hydration.,Mattos C, Bellamacina CR, Peisach E, Pereira A, Vitkup D, Petsko GA, Ringe D J Mol Biol. 2006 Apr 14;357(5):1471-82. Epub 2006 Jan 30. PMID:16488429[1] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. References
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