1jjb

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[[Image:1jjb.png|left|200px]]
 
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{{STRUCTURE_1jjb| PDB=1jjb | SCENE= }}
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==A neutral molecule in cation-binding site: Specific binding of PEG-SH to Acetylcholinesterase from Torpedo californica==
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<StructureSection load='1jjb' size='340' side='right'caption='[[1jjb]], [[Resolution|resolution]] 2.30&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1jjb]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Tetronarce_californica Tetronarce californica]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1JJB OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1JJB 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]] 2.3&#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=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=PE7:1-DEOXY-1-THIO-HEPTAETHYLENE+GLYCOL'>PE7</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=1jjb FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1jjb OCA], [https://pdbe.org/1jjb PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1jjb RCSB], [https://www.ebi.ac.uk/pdbsum/1jjb PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1jjb ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/ACES_TETCF ACES_TETCF] Terminates signal transduction at the neuromuscular junction by rapid hydrolysis of the acetylcholine released into the synaptic cleft. May be involved in cell-cell interactions.
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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/jj/1jjb_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview03.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=1jjb 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 crystal structure of acetylcholinesterase from Torpedo californica complexed with the uncharged inhibitor, PEG-SH-350 (containing mainly heptameric polyethylene glycol with a terminal thiol group) is determined at 2.3 A resolution. This is an untypical acetylcholinesterase inhibitor, since it lacks the cationic moiety typical of the substrate (acetylcholine). In the crystal structure, the elongated ligand extends along the whole of the deep and narrow active-site gorge, with the terminal thiol group bound near the bottom, close to the catalytic site. Unexpectedly, the cation-binding site (formed by the faces of aromatic side-chains) is occupied by CH(2) groups of the inhibitor, which are engaged in C-H...pi interactions that structurally mimic the cation-pi interactions made by the choline moiety of acetylcholine. In addition, the PEG-SH molecule makes numerous other weak but specific interactions of the C-H...O and C-H...pi types.
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===A neutral molecule in cation-binding site: Specific binding of PEG-SH to Acetylcholinesterase from Torpedo californica===
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A neutral molecule in a cation-binding site: specific binding of a PEG-SH to acetylcholinesterase from Torpedo californica.,Koellner G, Steiner T, Millard CB, Silman I, Sussman JL J Mol Biol. 2002 Jul 19;320(4):721-5. PMID:12095250<ref>PMID:12095250</ref>
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{{ABSTRACT_PUBMED_12095250}}
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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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==About this Structure==
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<div class="pdbe-citations 1jjb" style="background-color:#fffaf0;"></div>
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[[1jjb]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Torpedo_californica Torpedo californica]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1JJB OCA].
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==See Also==
==See Also==
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*[[AChE bivalent inhibitors (Part II)|AChE bivalent inhibitors (Part II)]]
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*[[Acetylcholinesterase 3D structures|Acetylcholinesterase 3D structures]]
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*[[Acetylcholinesterase|Acetylcholinesterase]]
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== References ==
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<references/>
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==Reference==
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__TOC__
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<ref group="xtra">PMID:012095250</ref><references group="xtra"/>
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</StructureSection>
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[[Category: Acetylcholinesterase]]
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[[Category: Large Structures]]
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[[Category: Torpedo californica]]
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[[Category: Tetronarce californica]]
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[[Category: Koellner, G.]]
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[[Category: Koellner G]]
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[[Category: Millard, C B.]]
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[[Category: Millard CB]]
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[[Category: Silman, I.]]
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[[Category: Silman I]]
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[[Category: Steiner, T.]]
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[[Category: Steiner T]]
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[[Category: Sussman, J L.]]
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[[Category: Sussman JL]]
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[[Category: Alpha/beta hydrolase]]
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[[Category: Catalytic triad]]
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[[Category: Glycosylated protein]]
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[[Category: Hydrolase]]
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[[Category: Neurotransmitter cleavage]]
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[[Category: Serine hydrolase]]
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Current revision

A neutral molecule in cation-binding site: Specific binding of PEG-SH to Acetylcholinesterase from Torpedo californica

PDB ID 1jjb

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