1epp

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[[Image:1epp.gif|left|200px]]
 
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{{Structure
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==ENDOTHIA ASPARTIC PROTEINASE (ENDOTHIAPEPSIN) COMPLEXED WITH PD-130,693 (MAS PHE LYS+MTF STA MBA)==
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|PDB= 1epp |SIZE=350|CAPTION= <scene name='initialview01'>1epp</scene>, resolution 1.9&Aring;
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<StructureSection load='1epp' size='340' side='right'caption='[[1epp]], [[Resolution|resolution]] 1.90&Aring;' scene=''>
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|SITE=
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== Structural highlights ==
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|LIGAND= <scene name='pdbligand=DCI:2-METHYL-BUTYLAMINE'>DCI</scene>, <scene name='pdbligand=MAS:DIMETHYLSULFONIC+AMIDE'>MAS</scene>, <scene name='pdbligand=MTF:N-METHYLTHIOFORMAMIDE'>MTF</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=STA:STATINE'>STA</scene>
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<table><tr><td colspan='2'>[[1epp]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Cryphonectria_parasitica Cryphonectria parasitica]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1EPP OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1EPP FirstGlance]. <br>
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|ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Endothiapepsin Endothiapepsin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.23.22 3.4.23.22] </span>
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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]] 1.9&#8491;</td></tr>
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|GENE=
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=1Z1:N-(DIMETHYLSULFAMOYL)-L-PHENYLALANYL-N-[(1S,2S)-2-HYDROXY-4-{[(2S)-2-METHYLBUTYL]AMINO}-1-(2-METHYLPROPYL)-4-OXOBUTYL]-N~6~-(METHYLCARBAMOTHIOYL)-L-LYSINAMIDE'>1Z1</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
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|DOMAIN=
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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=1epp FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1epp OCA], [https://pdbe.org/1epp PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1epp RCSB], [https://www.ebi.ac.uk/pdbsum/1epp PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1epp ProSAT]</span></td></tr>
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|RELATEDENTRY=
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</table>
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1epp FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1epp OCA], [http://www.ebi.ac.uk/pdbsum/1epp PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1epp RCSB]</span>
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== Function ==
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}}
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[https://www.uniprot.org/uniprot/CARP_CRYPA CARP_CRYPA]
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== Evolutionary Conservation ==
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'''ANALYSES OF LIGAND BINDING IN FIVE ENDOTHIAPEPSIN CRYSTAL COMPLEXES AND THEIR USE IN THE DESIGN AND EVALUATION OF NOVEL RENIN INHIBITORS'''
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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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==Overview==
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/ep/1epp_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview03.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=1epp 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 ==
Five renin inhibitors were cocrystallized with endothiapepsin, a fungal enzyme homologous to renin. Crystal structures of inhibitor-bound complexes have provided invaluable insight regarding the three-dimensional structure of the aspartic proteinase family of enzymes, as well as the steric and polar interactions that occur between the proteins and the bound ligands. Beyond this, subtleties of binding have been revealed, including multiple subsite binding modes and subsite interdependencies. This information has been applied in the design of novel potent renin inhibitors and in the understanding of structure-activity relationships and enzyme selectivities.
Five renin inhibitors were cocrystallized with endothiapepsin, a fungal enzyme homologous to renin. Crystal structures of inhibitor-bound complexes have provided invaluable insight regarding the three-dimensional structure of the aspartic proteinase family of enzymes, as well as the steric and polar interactions that occur between the proteins and the bound ligands. Beyond this, subtleties of binding have been revealed, including multiple subsite binding modes and subsite interdependencies. This information has been applied in the design of novel potent renin inhibitors and in the understanding of structure-activity relationships and enzyme selectivities.
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==About this Structure==
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Analyses of ligand binding in five endothiapepsin crystal complexes and their use in the design and evaluation of novel renin inhibitors.,Lunney EA, Hamilton HW, Hodges JC, Kaltenbronn JS, Repine JT, Badasso M, Cooper JB, Dealwis C, Wallace BA, Lowther WT, et al. J Med Chem. 1993 Nov 26;36(24):3809-20. PMID:8254610<ref>PMID:8254610</ref>
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1EPP is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/ ]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1EPP OCA].
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==Reference==
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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Analyses of ligand binding in five endothiapepsin crystal complexes and their use in the design and evaluation of novel renin inhibitors., Lunney EA, Hamilton HW, Hodges JC, Kaltenbronn JS, Repine JT, Badasso M, Cooper JB, Dealwis C, Wallace BA, Lowther WT, et al., J Med Chem. 1993 Nov 26;36(24):3809-20. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/8254610 8254610]
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</div>
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[[Category: Endothiapepsin]]
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<div class="pdbe-citations 1epp" style="background-color:#fffaf0;"></div>
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[[Category: Single protein]]
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[[Category: Blundell, T L.]]
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[[Category: Cooper, J B.]]
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[[Category: Wallace, B A.]]
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[[Category: hydrolase(acid proteinase)]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 20:07:20 2008''
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==See Also==
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*[[Pepsin|Pepsin]]
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*[[Proteinase 3D structures|Proteinase 3D structures]]
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== References ==
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<references/>
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__TOC__
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</StructureSection>
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[[Category: Cryphonectria parasitica]]
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[[Category: Large Structures]]
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[[Category: Blundell TL]]
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[[Category: Cooper JB]]
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[[Category: Wallace BA]]

Current revision

ENDOTHIA ASPARTIC PROTEINASE (ENDOTHIAPEPSIN) COMPLEXED WITH PD-130,693 (MAS PHE LYS+MTF STA MBA)

PDB ID 1epp

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