2xi4

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[[Image:2xi4.png|left|200px]]
 
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==Torpedo californica Acetylcholinesterase in Complex with Aflatoxin B1 (Orthorhombic Space Group)==
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The line below this paragraph, containing "STRUCTURE_2xi4", creates the "Structure Box" on the page.
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<StructureSection load='2xi4' size='340' side='right'caption='[[2xi4]], [[Resolution|resolution]] 2.30&Aring;' scene=''>
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== Structural highlights ==
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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<table><tr><td colspan='2'>[[2xi4]] is a 2 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=2XI4 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2XI4 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=AFT:AFLATOXIN+B1'>AFT</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=K:POTASSIUM+ION'>K</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene>, <scene name='pdbligand=PGE:TRIETHYLENE+GLYCOL'>PGE</scene></td></tr>
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{{STRUCTURE_2xi4| PDB=2xi4 | SCENE= }}
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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=2xi4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2xi4 OCA], [https://pdbe.org/2xi4 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2xi4 RCSB], [https://www.ebi.ac.uk/pdbsum/2xi4 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2xi4 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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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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The transient opening of a backdoor in the active-site wall of acetylcholinesterase, one of Nature's most rapid enzymes, has been suggested to contribute to the efficient traffic of substrates and products. A crystal structure of Torpedo californica acetylcholinesterase in complex with the peripheral-site inhibitor aflatoxin is now presented, in which a tyrosine at the bottom of the active site gorge rotates to create a 3.4 A wide exit channel. Molecular dynamics simulations show that the opening can be further enlarged by movement of Trp84. The crystallographic and molecular dynamics simulation data thus point to the interface between Tyr442 and Trp84 as the key element of a backdoor, whose opening permits rapid clearance of catalysis products from the active site. Furthermore, the crystallographic structure presented provides a novel template for rational design of inhibitors and reactivators, including anti-Alzheimer drugs and antidotes against organophosphate poisoning.
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===TORPEDO CALIFORNICA ACETYLCHOLINESTERASE IN COMPLEX WITH AFLATOXIN B1 (ORTHORHOMBIC SPACE GROUP)===
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Backdoor opening mechanism in acetylcholinesterase based on X-ray crystallography and MD simulations.,Sanson B, Colletier JP, Xu Y, Therese Lang P, Jiang H, Silman I, Sussman JL, Weik M Protein Sci. 2011 May 18. doi: 10.1002/pro.661. PMID:21594947<ref>PMID:21594947</ref>
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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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<div class="pdbe-citations 2xi4" style="background-color:#fffaf0;"></div>
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==See Also==
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The line below this paragraph, {{ABSTRACT_PUBMED_21594947}}, adds the Publication Abstract to the page
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*[[Acetylcholinesterase 3D structures|Acetylcholinesterase 3D structures]]
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(as it appears on PubMed at http://www.pubmed.gov), where 21594947 is the PubMed ID number.
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== References ==
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<references/>
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{{ABSTRACT_PUBMED_21594947}}
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__TOC__
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</StructureSection>
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==About this Structure==
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[[Category: Large Structures]]
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[[2xi4]] is a 2 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=2XI4 OCA].
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[[Category: Tetronarce californica]]
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[[Category: Colletier JP]]
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==Reference==
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[[Category: Jiang H]]
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<ref group="xtra">PMID:021594947</ref><references group="xtra"/>
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[[Category: Lang PT]]
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[[Category: Acetylcholinesterase]]
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[[Category: Sanson B]]
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[[Category: Torpedo californica]]
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[[Category: Silman I]]
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[[Category: Colletier, J P.]]
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[[Category: Sussman JL]]
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[[Category: Jiang, H.]]
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[[Category: Weik M]]
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[[Category: Lang, P T.]]
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[[Category: Xu Y]]
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[[Category: Sanson, B.]]
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[[Category: Silman, I.]]
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[[Category: Sussman, J L.]]
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[[Category: Weik, M.]]
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[[Category: Xu, Y.]]
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Current revision

Torpedo californica Acetylcholinesterase in Complex with Aflatoxin B1 (Orthorhombic Space Group)

PDB ID 2xi4

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