1od1
From Proteopedia
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| - | [[Image:1od1.gif|left|200px]]<br /> | ||
| - | <applet load="1od1" size="450" color="white" frame="true" align="right" spinBox="true" | ||
| - | caption="1od1, resolution 1.37Å" /> | ||
| - | '''ENDOTHIAPEPSIN PD135,040 COMPLEX'''<br /> | ||
| - | == | + | ==Endothiapepsin PD135,040 complex== |
| - | The crystal structure of endothiapepsin complexed with the gem-diol | + | <StructureSection load='1od1' size='340' side='right'caption='[[1od1]], [[Resolution|resolution]] 1.37Å' scene=''> |
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[1od1]] 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=1OD1 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1OD1 FirstGlance]. <br> | ||
| + | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.37Å</td></tr> | ||
| + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=0QS:N~2~-[(2R)-2-BENZYL-3-(TERT-BUTYLSULFONYL)PROPANOYL]-N-{(1R)-1-(CYCLOHEXYLMETHYL)-3,3-DIFLUORO-2,2-DIHYDROXY-4-[(2-MORPHOLIN-4-YLETHYL)AMINO]-4-OXOBUTYL}-3-(1H-IMIDAZOL-3-IUM-4-YL)-L-ALANINAMIDE'>0QS</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr> | ||
| + | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1od1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1od1 OCA], [https://pdbe.org/1od1 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1od1 RCSB], [https://www.ebi.ac.uk/pdbsum/1od1 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1od1 ProSAT]</span></td></tr> | ||
| + | </table> | ||
| + | == Function == | ||
| + | [https://www.uniprot.org/uniprot/CARP_CRYPA CARP_CRYPA] | ||
| + | == Evolutionary Conservation == | ||
| + | [[Image:Consurf_key_small.gif|200px|right]] | ||
| + | Check<jmol> | ||
| + | <jmolCheckbox> | ||
| + | <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/od/1od1_consurf.spt"</scriptWhenChecked> | ||
| + | <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview03.spt</scriptWhenUnchecked> | ||
| + | <text>to colour the structure by Evolutionary Conservation</text> | ||
| + | </jmolCheckbox> | ||
| + | </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=1od1 ConSurf]. | ||
| + | <div style="clear:both"></div> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | The crystal structure of endothiapepsin complexed with the gem-diol inhibitor PD-135,040 has been anisotropically refined to a resolution of 1.37 A. The structure of this inhibitor complex is in agreement with previous structures of endothiapepsin gem-diol inhibitor complexes that have been used to develop proposed catalytic mechanisms. However, the increase in resolution over previous structures confirms the presence of a number of short hydrogen bonds within the active site that are likely to play an important role in the catalytic mechanism. The presence of low-barrier hydrogen bonds was indicated in a previous one-dimensional H NMR spectrum. | ||
| - | + | The structure of endothiapepsin complexed with the gem-diol inhibitor PD-135,040 at 1.37 A.,Coates L, Erskine PT, Mall S, Williams PA, Gill RS, Wood SP, Cooper JB Acta Crystallogr D Biol Crystallogr. 2003 Jun;59(Pt 6):978-81. Epub 2003, May 23. PMID:12777758<ref>PMID:12777758</ref> | |
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| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | + | </div> | |
| - | + | <div class="pdbe-citations 1od1" style="background-color:#fffaf0;"></div> | |
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| - | + | ==See Also== | |
| + | *[[Pepsin|Pepsin]] | ||
| + | == References == | ||
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
| + | [[Category: Cryphonectria parasitica]] | ||
| + | [[Category: Large Structures]] | ||
| + | [[Category: Coates L]] | ||
| + | [[Category: Cooper JB]] | ||
| + | [[Category: Erskine PT]] | ||
| + | [[Category: Gill RS]] | ||
| + | [[Category: Mall S]] | ||
| + | [[Category: Wood SP]] | ||
Current revision
Endothiapepsin PD135,040 complex
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