3i1u

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{{STRUCTURE_3i1u| PDB=3i1u | SCENE= }}
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==Carboxypeptidase A Inhibited by a Thiirane Mechanism-Based inactivator==
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===Carboxypeptidase A Inhibited by a Thiirane Mechanism-Based inactivator===
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<StructureSection load='3i1u' size='340' side='right' caption='[[3i1u]], [[Resolution|resolution]] 1.39&Aring;' scene=''>
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{{ABSTRACT_PUBMED_19895506}}
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== Structural highlights ==
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<table><tr><td colspan='2'>[[3i1u]] is a 1 chain structure with 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=3I1U OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3I1U FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BTW:(2S,3R)-2-BENZYL-3-SULFANYLBUTANOIC+ACID'>BTW</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
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<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Carboxypeptidase_A Carboxypeptidase A], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.17.1 3.4.17.1] </span></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3i1u FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3i1u OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3i1u RCSB], [http://www.ebi.ac.uk/pdbsum/3i1u PDBsum]</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/i1/3i1u_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/chain_selection.php?pdb_ID=2ata 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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The three-dimensional X-ray crystal structure of carboxypeptidase A, a zinc-dependent hydrolase, covalently modified by a mechanism-based thiirane inactivator, 2-benzyl-3,4-epithiobutanoic acid, has been solved to 1.38 A resolution. The interaction of the thiirane moiety of the inhibitor with the active site zinc ion promotes its covalent modification of Glu-270 with the attendant opening of the thiirane ring. The crystal structure determination at high resolution allowed for the clear visualization of the covalent ester bond to the glutamate side chain. The newly generated thiol from the inhibitor binds to the catalytic zinc ion in a monodentate manner, inducing a change in the zinc ion geometry and coordination, while its benzyl group fits into the S1' specificity pocket of the enzyme. The inhibitor molecule is distorted at the position of the carbon atom that is involved in the ester bond linkage on one side and the zinc coordination on the other. This particular type of thiirane-based metalloprotease inhibitor is for the first time analyzed in complex to the target protease at high resolution and may be used as a general model for zinc-dependent proteases.
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==About this Structure==
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The X-ray structure of carboxypeptidase A inhibited by a thiirane mechanism-based inhibitor.,Fernandez D, Testero S, Vendrell J, Aviles FX, Mobashery S Chem Biol Drug Des. 2010 Jan;75(1):29-34. Epub 2009 Nov 4. PMID:19895506<ref>PMID:19895506</ref>
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[[3i1u]] is a 1 chain structure with 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=3I1U OCA].
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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>
==See Also==
==See Also==
*[[Carboxypeptidase|Carboxypeptidase]]
*[[Carboxypeptidase|Carboxypeptidase]]
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== References ==
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==Reference==
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<references/>
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<ref group="xtra">PMID:019895506</ref><references group="xtra"/><references/>
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__TOC__
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</StructureSection>
[[Category: Bos taurus]]
[[Category: Bos taurus]]
[[Category: Carboxypeptidase A]]
[[Category: Carboxypeptidase A]]
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[[Category: Fernandez, D.]]
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[[Category: Fernandez, D]]
[[Category: Carboxypeptidase some]]
[[Category: Carboxypeptidase some]]
[[Category: Covalently-modified protein]]
[[Category: Covalently-modified protein]]

Revision as of 16:19, 21 December 2014

Carboxypeptidase A Inhibited by a Thiirane Mechanism-Based inactivator

3i1u, resolution 1.39Å

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