2x8b

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[[Image:2x8b.png|left|200px]]
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==CRYSTAL STRUCTURE OF HUMAN ACETYLCHOLINESTERASE INHIBITED BY AGED TABUN AND COMPLEXED WITH FASCICULIN-II==
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<StructureSection load='2x8b' size='340' side='right' caption='[[2x8b]], [[Resolution|resolution]] 2.95&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[2x8b]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Dendroaspis_angusticeps Dendroaspis angusticeps] and [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2X8B OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2X8B FirstGlance]. <br>
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</td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=UNX:UNKNOWN+ATOM+OR+ION'>UNX</scene><br>
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<tr><td class="sblockLbl"><b>[[Non-Standard_Residue|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=SEN:O-[N,N-DIMETHYLPHOSPHORAMIDATE]-L-SERINE'>SEN</scene></td></tr>
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<tr><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1fsc|1fsc]], [[1mah|1mah]], [[1ku6|1ku6]], [[2clj|2clj]], [[1b41|1b41]], [[1puv|1puv]], [[1fss|1fss]], [[1puw|1puw]], [[1vzj|1vzj]], [[1f8u|1f8u]]</td></tr>
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<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Acetylcholinesterase Acetylcholinesterase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.1.1.7 3.1.1.7] </span></td></tr>
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<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2x8b FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2x8b OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2x8b RCSB], [http://www.ebi.ac.uk/pdbsum/2x8b 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/x8/2x8b_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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Tabun is a warfare agent that inhibits human acetylcholinesterase (hAChE) by rapid phosphylation of the catalytic serine. A time-dependent reaction occurs on the tabun adduct, leading to an "aged" enzyme, resistant to oxime reactivators. The aging reaction may proceed via either dealkylation or deamidation, depending on the stereochemistry of the phosphoramidyl adduct. We solved the X-ray structure of aged tabun-hAChE complexed with fasciculin II, and we show that aging proceeds through O-dealkylation, in agreement with the aging mechanism that we determined for tabun-inhibited human butyrylcholinesterase and mouse acetylcholinesterase. Noteworthy, aging and binding of fasciculin II lead to an improved thermostability, resulting from additional stabilizing interactions between the two subdomains that face each other across the active site gorge. This first structure of hAChE inhibited by a nerve agent provides structural insight into the inhibition and aging mechanisms and a structural template for the design of molecules capable of reactivating aged hAChE.
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{{STRUCTURE_2x8b| PDB=2x8b | SCENE= }}
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Structural Evidence That Human Acetylcholinesterase Inhibited by Tabun Ages through O-Dealkylation.,Carletti E, Colletier JP, Dupeux F, Trovaslet M, Masson P, Nachon F J Med Chem. 2010 Apr 21. PMID:20408548<ref>PMID:20408548</ref>
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===CRYSTAL STRUCTURE OF HUMAN ACETYLCHOLINESTERASE INHIBITED BY AGED TABUN AND COMPLEXED WITH FASCICULIN-II===
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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>
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{{ABSTRACT_PUBMED_20408548}}
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==About this Structure==
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[[2x8b]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Dendroaspis_angusticeps Dendroaspis angusticeps] and [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2X8B OCA].
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==See Also==
==See Also==
*[[Acetylcholinesterase|Acetylcholinesterase]]
*[[Acetylcholinesterase|Acetylcholinesterase]]
*[[Fasciculin|Fasciculin]]
*[[Fasciculin|Fasciculin]]
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== References ==
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==Reference==
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<references/>
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<ref group="xtra">PMID:020408548</ref><references group="xtra"/>
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__TOC__
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</StructureSection>
[[Category: Acetylcholinesterase]]
[[Category: Acetylcholinesterase]]
[[Category: Dendroaspis angusticeps]]
[[Category: Dendroaspis angusticeps]]

Revision as of 00:53, 2 October 2014

CRYSTAL STRUCTURE OF HUMAN ACETYLCHOLINESTERASE INHIBITED BY AGED TABUN AND COMPLEXED WITH FASCICULIN-II

2x8b, resolution 2.95Å

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