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1epq

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(New page: 200px<br /><applet load="1epq" size="450" color="white" frame="true" align="right" spinBox="true" caption="1epq, resolution 1.9&Aring;" /> '''ANALYSES OF LIGAND BI...)
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[[Image:1epq.gif|left|200px]]<br /><applet load="1epq" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="1epq, resolution 1.9&Aring;" />
 
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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'''<br />
 
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==Overview==
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==ENDOTHIA ASPARTIC PROTEINASE (ENDOTHIAPEPSIN) COMPLEXED WITH PD-133,450 (SOT PHE GLY+SCC GCL)==
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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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<StructureSection load='1epq' size='340' side='right'caption='[[1epq]], [[Resolution|resolution]] 1.90&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1epq]] 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=1EPQ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1EPQ FirstGlance]. <br>
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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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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=0QF:N-[(1R)-2-{[(1R,2R,3S)-1-(CYCLOHEXYLMETHYL)-2,3-DIHYDROXY-5-METHYLHEXYL]AMINO}-1-(ETHYLSULFANYL)-2-OXOETHYL]-NALPHA-(MORPHOLIN-4-YLSULFONYL)-D-PHENYLALANINAMIDE'>0QF</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></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=1epq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1epq OCA], [https://pdbe.org/1epq PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1epq RCSB], [https://www.ebi.ac.uk/pdbsum/1epq PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1epq ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/CARP_CRYPA CARP_CRYPA]
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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/ep/1epq_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=1epq ConSurf].
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<div style="clear:both"></div>
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==About this Structure==
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==See Also==
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1EPQ is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/ ] with SO4, SOT and SCC as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [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] Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1EPQ OCA].
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*[[Pepsin|Pepsin]]
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*[[Proteinase 3D structures|Proteinase 3D structures]]
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==Reference==
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__TOC__
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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://ispc.weizmann.ac.il//pmbin/getpm?pmid=8254610 8254610]
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</StructureSection>
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[[Category: Endothiapepsin]]
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[[Category: Cryphonectria parasitica]]
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[[Category: Single protein]]
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[[Category: Large Structures]]
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[[Category: Blundell, T.L.]]
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[[Category: Blundell TL]]
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[[Category: Cooper, J.B.]]
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[[Category: Cooper JB]]
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[[Category: Dealwis, C.]]
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[[Category: Dealwis C]]
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[[Category: SCC]]
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[[Category: SO4]]
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[[Category: SOT]]
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[[Category: hydrolase(acid proteinase)]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Nov 20 14:12:40 2007''
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Current revision

ENDOTHIA ASPARTIC PROTEINASE (ENDOTHIAPEPSIN) COMPLEXED WITH PD-133,450 (SOT PHE GLY+SCC GCL)

PDB ID 1epq

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