3dl7: Difference between revisions

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-{{Seed}}
-<!--
-The line below this paragraph, containing "STRUCTURE_3dl7", creates the "Structure Box" on the page.
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-{{STRUCTURE_3dl7|  PDB=3dl7  |  SCENE=  }}
-===Aged Form of Mouse Acetylcholinesterase Inhibited by Tabun- Update===
+==Aged Form of Mouse Acetylcholinesterase Inhibited by Tabun- Update==
+<StructureSection load='3dl7' size='340' side='right'caption='[[3dl7]], [[Resolution|resolution]] 2.50&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[3dl7]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Lk3_transgenic_mice Lk3 transgenic mice]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3DL7 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3DL7 FirstGlance]. <br>
+</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=P6G:HEXAETHYLENE+GLYCOL'>P6G</scene>, <scene name='pdbligand=PG4:TETRAETHYLENE+GLYCOL'>PG4</scene></td></tr>
+<tr id='NonStdRes'><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>, <scene name='pdbligand=SUN:O-[(R)-(DIMETHYLAMINO)(ETHOXY)PHOSPHORYL]-L-SERINE'>SUN</scene></td></tr>
+<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[2c0p|2c0p]], [[2c0q|2c0q]], [[3dkk|3dkk]], [[3djy|3djy]], [[3dl4|3dl4]]</div></td></tr>
+<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">Ache ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=10090 LK3 transgenic mice])</td></tr>
+<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Acetylcholinesterase Acetylcholinesterase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.1.1.7 3.1.1.7] </span></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=3dl7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3dl7 OCA], [https://pdbe.org/3dl7 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3dl7 RCSB], [https://www.ebi.ac.uk/pdbsum/3dl7 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3dl7 ProSAT]</span></td></tr>
+</table>
+== Function ==
+[[https://www.uniprot.org/uniprot/ACES_MOUSE ACES_MOUSE]] Terminates signal transduction at the neuromuscular junction by rapid hydrolysis of the acetylcholine released into the synaptic cleft.
+== 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/dl/3dl7_consurf.spt"</scriptWhenChecked>
+    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.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=3dl7 ConSurf].
+<div style="clear:both"></div>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+Human butyrylcholinesterase (hBChE) hydrolyzes or scavenges a wide range of toxic esters, including heroin, cocaine, carbamate pesticides, organophosphorus pesticides, and nerve agents. Organophosphates (OPs) exert their acute toxicity through inhibition of acetylcholinesterase (AChE) by phosphylation of the catalytic serine. Phosphylated cholinesterase (ChE) can undergo a spontaneous, time-dependent process called "aging", during which the OP-ChE conjugate is dealkylated. This leads to irreversible inhibition of the enzyme. The inhibition of ChEs by tabun and the subsequent aging reaction are of particular interest, because tabun-ChE conjugates display an extraordinary resistance toward most current oxime reactivators. We investigated the structural basis of oxime resistance for phosphoramidated ChE conjugates by determining the crystal structures of the non-aged and aged forms of hBChE inhibited by tabun, and by updating the refinement of non-aged and aged tabun-inhibited mouse AChE (mAChE). Structures for non-aged and aged tabun-hBChE were refined to 2.3 and 2.1 A, respectively. The refined structures of aged ChE conjugates clearly show that the aging reaction proceeds through O-dealkylation of the P( R) enantiomer of tabun. After dealkylation, the negatively charged oxygen forms a strong salt bridge with protonated His438N2 that prevents reactivation. Mass spectrometric analysis of the aged tabun-inhibited hBChE showed that both the dimethylamine and ethoxy side chains were missing from the phosphorus. Loss of the ethoxy is consistent with the crystallography results. Loss of the dimethylamine is consistent with acid-catalyzed deamidation during the preparation of the aged adduct for mass spectrometry. The reported 3D data will help in the design of new oximes capable of reactivating tabun-ChE conjugates.
+Aging of Cholinesterases Phosphylated by Tabun Proceeds through O-Dealkylation.,Carletti E, Li H, Li B, Ekstrom F, Nicolet Y, Loiodice M, Gillon E, Froment MT, Lockridge O, Schopfer LM, Masson P, Nachon F J Am Chem Soc. 2008 Nov 1. PMID:18975951<ref>PMID:18975951</ref>
-<!--
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-The line below this paragraph, {{ABSTRACT_PUBMED_18975951}}, adds the Publication Abstract to the page
+</div>
-(as it appears on PubMed at http://www.pubmed.gov), where 18975951 is the PubMed ID number.
+<div class="pdbe-citations 3dl7" style="background-color:#fffaf0;"></div>
--->
-{{ABSTRACT_PUBMED_18975951}}
-==About this Structure==
+==See Also==
-DL7 is a 2 chains structure of sequences from [http://en.wikipedia.org/wiki/Mus_musculus Mus musculus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3DL7 OCA].
+*[[Acetylcholinesterase 3D structures|Acetylcholinesterase 3D structures]]
+== References ==
-==Reference==
+<references/>
-Aging of Cholinesterases Phosphylated by Tabun Proceeds through O-Dealkylation., Carletti E, Li H, Li B, Ekstrom F, Nicolet Y, Loiodice M, Gillon E, Froment MT, Lockridge O, Schopfer LM, Masson P, Nachon F, J Am Chem Soc. 2008 Nov 1. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/18975951 18975951]
+__TOC__
+</StructureSection>
 [[Category: Acetylcholinesterase]]
-[[Category: Mus musculus]]
+[[Category: Large Structures]]
-[[Category: Pdbx_ordinal=, <PDBx:audit_author.]]
+[[Category: Lk3 transgenic mice]]
+[[Category: Carletti, E]]
+[[Category: Ekstrom, F]]
+[[Category: Froment, M T]]
+[[Category: Gillon, E]]
+[[Category: Li, B]]
+[[Category: Li, H]]
+[[Category: Lockridge, O]]
+[[Category: Loiodice, M]]
+[[Category: Masson, P]]
+[[Category: Nachon, F]]
+[[Category: Nicolet, Y]]
+[[Category: Schopfer, L M]]
 [[Category: Aging]]
-[[Category: Alternative splicing]]
 [[Category: Cell junction]]
 [[Category: Glycoprotein]]
@@ Line 39: / Line 67: @@
 [[Category: Synapse]]
 [[Category: Tabun]]
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri Dec  5 09:37:29 2008''