3e16

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[[Image:3e16.png|left|200px]]
 
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{{STRUCTURE_3e16| PDB=3e16 | SCENE= }}
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==X-ray structure of human prostasin in complex with Benzoxazole warhead peptidomimic, lysine in P3==
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<StructureSection load='3e16' size='340' side='right'caption='[[3e16]], [[Resolution|resolution]] 1.60&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[3e16]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3E16 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3E16 FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=B4C:BENZYL+[(1S)-5-AMINO-1-{[(1S)-1-({(1S)-5-AMINO-1-[(S)-1,3-BENZOXAZOL-2-YL(HYDROXY)METHYL]PENTYL}CARBAMOYL)-3-PHENYLPROPYL]CARBAMOYL}PENTYL]CARBAMATE'>B4C</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene></td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[3eon|3eon]], [[3eop|3eop]], [[3e1x|3e1x]]</div></td></tr>
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<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">PRSS8 ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</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=3e16 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3e16 OCA], [https://pdbe.org/3e16 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3e16 RCSB], [https://www.ebi.ac.uk/pdbsum/3e16 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3e16 ProSAT]</span></td></tr>
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</table>
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== Function ==
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[[https://www.uniprot.org/uniprot/PRSS8_HUMAN PRSS8_HUMAN]] Possesses a trypsin-like cleavage specificity with a preference for poly-basic substrates. Stimulates epithelial sodium channel (ENaC) activity through activating cleavage of the gamma subunits (SCNN1G).<ref>PMID:15246975</ref> <ref>PMID:15474520</ref>
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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/e1/3e16_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=3e16 ConSurf].
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<div style="clear:both"></div>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Structure-based design was utilized to guide the early stage optimization of a substrate-like inhibitor to afford potent peptidomimetic inhibitors of the channel-activating protease prostasin. The first X-ray crystal structures of prostasin with small molecule inhibitors bound to the active site are also reported.
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===X-ray structure of human prostasin in complex with Benzoxazole warhead peptidomimic, lysine in P3===
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Discovery of inhibitors of the channel-activating protease prostasin (CAP1/PRSS8) utilizing structure-based design.,Tully DC, Vidal A, Chatterjee AK, Williams JA, Roberts MJ, Petrassi HM, Spraggon G, Bursulaya B, Pacoma R, Shipway A, Schumacher AM, Danahay H, Harris JL Bioorg Med Chem Lett. 2008 Nov 15;18(22):5895-9. Epub 2008 Aug 14. PMID:18752942<ref>PMID:18752942</ref>
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{{ABSTRACT_PUBMED_18752942}}
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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==About this Structure==
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<div class="pdbe-citations 3e16" style="background-color:#fffaf0;"></div>
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[[3e16]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3E16 OCA].
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== References ==
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<references/>
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==Reference==
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__TOC__
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<ref group="xtra">PMID:018752942</ref><references group="xtra"/>
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</StructureSection>
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[[Category: Homo sapiens]]
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[[Category: Human]]
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[[Category: Harris, J L.]]
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[[Category: Large Structures]]
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[[Category: Hornsby, M.]]
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[[Category: Harris, J L]]
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[[Category: Lesley, S A.]]
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[[Category: Hornsby, M]]
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[[Category: Shipway, A.]]
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[[Category: Lesley, S A]]
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[[Category: Spraggon, G.]]
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[[Category: Shipway, A]]
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[[Category: Spraggon, G]]
[[Category: Benzoxazole]]
[[Category: Benzoxazole]]
[[Category: Cell membrane]]
[[Category: Cell membrane]]

Current revision

X-ray structure of human prostasin in complex with Benzoxazole warhead peptidomimic, lysine in P3

PDB ID 3e16

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