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2fx4

From Proteopedia

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[[Image:2fx4.gif|left|200px]]
 
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{{Structure
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==Bovine trypsin bound by 4-piperidinebutyrate to make acylenzyme complex==
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|PDB= 2fx4 |SIZE=350|CAPTION= <scene name='initialview01'>2fx4</scene>, resolution 1.65&Aring;
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<StructureSection load='2fx4' size='340' side='right'caption='[[2fx4]], [[Resolution|resolution]] 1.65&Aring;' scene=''>
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|SITE=
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== Structural highlights ==
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|LIGAND= <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene> and <scene name='pdbligand=C1R:4-PIPERIDINEBUTYRATE'>C1R</scene>
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<table><tr><td colspan='2'>[[2fx4]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Bovin Bovin]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2FX4 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2FX4 FirstGlance]. <br>
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|ACTIVITY= [http://en.wikipedia.org/wiki/Trypsin Trypsin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.4 3.4.21.4]
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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=C1R:4-PIPERIDINEBUTYRATE'>C1R</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene></td></tr>
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|GENE=
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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;'>[[2fww|2fww]], [[2fx6|2fx6]]</div></td></tr>
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}}
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<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Trypsin Trypsin], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.4 3.4.21.4] </span></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=2fx4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2fx4 OCA], [https://pdbe.org/2fx4 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2fx4 RCSB], [https://www.ebi.ac.uk/pdbsum/2fx4 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2fx4 ProSAT]</span></td></tr>
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</table>
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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/fx/2fx4_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=2fx4 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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Improved peptide-based inhibitors of human beta tryptase were discovered using information gleaned from tripeptide library screening and structure-guided design methods, including fragment screening. Our efforts sought to improve this class of inhibitors by replacing the traditional Lys or Arg P1 element. The optimized compounds display low nanomolar potency against the mast cell target and several hundred-fold selectivity with respect to serine protease off targets. Thus, replacement of Lys/Arg at P1 in a peptide-like scaffold does not need to be accompanied by a loss in target affinity.
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'''Bovine trypsin bound by 4-piperidinebutyrate to make acylenzyme complex'''
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Structure-guided design of peptide-based tryptase inhibitors.,McGrath ME, Sprengeler PA, Hirschbein B, Somoza JR, Lehoux I, Janc JW, Gjerstad E, Graupe M, Estiarte A, Venkataramani C, Liu Y, Yee R, Ho JD, Green MJ, Lee CS, Liu L, Tai V, Spencer J, Sperandio D, Katz BA Biochemistry. 2006 May 16;45(19):5964-73. PMID:16681368<ref>PMID:16681368</ref>
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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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<div class="pdbe-citations 2fx4" style="background-color:#fffaf0;"></div>
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==Overview==
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==See Also==
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Improved peptide-based inhibitors of human beta tryptase were discovered using information gleaned from tripeptide library screening and structure-guided design methods, including fragment screening. Our efforts sought to improve this class of inhibitors by replacing the traditional Lys or Arg P1 element. The optimized compounds display low nanomolar potency against the mast cell target and several hundred-fold selectivity with respect to serine protease off targets. Thus, replacement of Lys/Arg at P1 in a peptide-like scaffold does not need to be accompanied by a loss in target affinity.
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*[[Trypsin 3D structures|Trypsin 3D structures]]
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== References ==
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==About this Structure==
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<references/>
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2FX4 is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Bos_taurus Bos taurus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2FX4 OCA].
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__TOC__
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</StructureSection>
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==Reference==
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[[Category: Bovin]]
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Structure-guided design of peptide-based tryptase inhibitors., McGrath ME, Sprengeler PA, Hirschbein B, Somoza JR, Lehoux I, Janc JW, Gjerstad E, Graupe M, Estiarte A, Venkataramani C, Liu Y, Yee R, Ho JD, Green MJ, Lee CS, Liu L, Tai V, Spencer J, Sperandio D, Katz BA, Biochemistry. 2006 May 16;45(19):5964-73. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/16681368 16681368]
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[[Category: Large Structures]]
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[[Category: Bos taurus]]
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[[Category: Single protein]]
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[[Category: Trypsin]]
[[Category: Trypsin]]
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[[Category: Katz, B A.]]
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[[Category: Katz, B A]]
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[[Category: C1R]]
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[[Category: Acylenzyme complex]]
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[[Category: CA]]
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[[Category: Hydrolase]]
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[[Category: acylenzyme complex]]
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[[Category: Serine protease]]
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[[Category: serine protease]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 16:57:47 2008''
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Current revision

Bovine trypsin bound by 4-piperidinebutyrate to make acylenzyme complex

PDB ID 2fx4

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