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[[Image:1od1.jpg|left|200px]]
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{{STRUCTURE_1od1|  PDB=1od1  |  SCENE=  }}
'''ENDOTHIAPEPSIN PD135,040 COMPLEX'''


==Endothiapepsin PD135,040 complex==
<StructureSection load='1od1' size='340' side='right'caption='[[1od1]], [[Resolution|resolution]] 1.37&Aring;' 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]] 1.37&#8491;</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.


==Overview==
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>
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.


==About this Structure==
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
1OD1 is a [[Protein complex]] structure of sequences from [http://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].
</div>
<div class="pdbe-citations 1od1" style="background-color:#fffaf0;"></div>


==Reference==
==See Also==
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:[http://www.ncbi.nlm.nih.gov/pubmed/12777758 12777758]
*[[Pepsin|Pepsin]]
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Cryphonectria parasitica]]
[[Category: Cryphonectria parasitica]]
[[Category: Endothiapepsin]]
[[Category: Large Structures]]
[[Category: Protein complex]]
[[Category: Coates L]]
[[Category: Coates, L.]]
[[Category: Cooper JB]]
[[Category: Cooper, J B.]]
[[Category: Erskine PT]]
[[Category: Erskine, P T.]]
[[Category: Gill RS]]
[[Category: Gill, R S.]]
[[Category: Mall S]]
[[Category: Mall, S.]]
[[Category: Wood SP]]
[[Category: Wood, S P.]]
[[Category: Hydrolase,acid proteinase,inhibitor,aspartyl protease]]
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May  3 03:41:12 2008''
Retrieved from "https://proteopedia.org/1od1"