1dx6

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{{STRUCTURE_1dx6| PDB=1dx6 | SCENE= }}
 
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===STRUCTURE OF ACETYLCHOLINESTERASE COMPLEXED WITH (-)-GALANTHAMINE AT 2.3A RESOLUTION===
 
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{{ABSTRACT_PUBMED_10606746}}
 
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==About this Structure==
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==STRUCTURE OF ACETYLCHOLINESTERASE COMPLEXED WITH (-)-GALANTHAMINE AT 2.3A RESOLUTION==
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[[1dx6]] 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=1DX6 OCA].
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<StructureSection load='1dx6' size='340' side='right'caption='[[1dx6]], [[Resolution|resolution]] 2.30&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1dx6]] 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=1DX6 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1DX6 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=GNT:(-)-GALANTHAMINE'>GNT</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=PG4:TETRAETHYLENE+GLYCOL'>PG4</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=1dx6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1dx6 OCA], [https://pdbe.org/1dx6 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1dx6 RCSB], [https://www.ebi.ac.uk/pdbsum/1dx6 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1dx6 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/dx/1dx6_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=1dx6 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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(-)-Galanthamine (GAL), an alkaloid from the flower, the common snowdrop (Galanthus nivalis), shows anticholinesterase activity. This property has made GAL the target of research as to its effectiveness in the treatment of Alzheimer's disease. We have solved the X-ray crystal structure of GAL bound in the active site of Torpedo californica acetylcholinesterase (TcAChE) to 2.3 A resolution. The inhibitor binds at the base of the active site gorge of TcAChE, interacting with both the choline-binding site (Trp-84) and the acyl-binding pocket (Phe-288, Phe-290). The tertiary amine group of GAL does not interact closely with Trp-84; rather, the double bond of its cyclohexene ring stacks against the indole ring. The tertiary amine appears to make a non-conventional hydrogen bond, via its N-methyl group, to Asp-72, near the top of the gorge. The hydroxyl group of the inhibitor makes a strong hydrogen bond (2.7 A) with Glu-199. The relatively tight binding of GAL to TcAChE appears to arise from a number of moderate to weak interactions with the protein, coupled to a low entropy cost for binding due to the rigid nature of the inhibitor.
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==See Also==
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Structure of acetylcholinesterase complexed with (-)-galanthamine at 2.3 A resolution.,Greenblatt HM, Kryger G, Lewis T, Silman I, Sussman JL FEBS Lett. 1999 Dec 17;463(3):321-6. PMID:10606746<ref>PMID:10606746</ref>
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*[[AChE bivalent inhibitors (Part II)|AChE bivalent inhibitors (Part II)]]
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*[[AChE inhibitors and substrates|AChE inhibitors and substrates]]
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*[[AChE inhibitors and substrates (Part II)|AChE inhibitors and substrates (Part II)]]
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*[[AChE inhibitors and substrates (Part III)|AChE inhibitors and substrates (Part III)]]
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*[[Acetylcholinesterase|Acetylcholinesterase]]
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*[[Complex of TcAChE with an iminium galanthamine derivative|Complex of TcAChE with an iminium galanthamine derivative]]
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*[[Complex of TcAChE with bis-acting galanthamine derivative|Complex of TcAChE with bis-acting galanthamine derivative]]
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*[[Huperzine A Complexed with Acetylcholinesterase|Huperzine A Complexed with Acetylcholinesterase]]
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==Reference==
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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<ref group="xtra">PMID:010606746</ref><references group="xtra"/>
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</div>
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[[Category: Acetylcholinesterase]]
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<div class="pdbe-citations 1dx6" style="background-color:#fffaf0;"></div>
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[[Category: Torpedo californica]]
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[[Category: Greenblatt, H M.]]
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==See Also==
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[[Category: Kryger, G.]]
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*[[Acetylcholinesterase 3D structures|Acetylcholinesterase 3D structures]]
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[[Category: Lewis, T T.]]
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== References ==
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[[Category: Silman, I.]]
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<references/>
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[[Category: Sussman, J L.]]
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__TOC__
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[[Category: Alzheimer's disease]]
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</StructureSection>
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[[Category: Cholinesterase]]
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[[Category: Large Structures]]
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[[Category: Hydrolase]]
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[[Category: Tetronarce californica]]
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[[Category: Serine hydrolase]]
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[[Category: Greenblatt HM]]
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[[Category: Kryger G]]
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[[Category: Lewis TT]]
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[[Category: Silman I]]
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[[Category: Sussman JL]]

Current revision

STRUCTURE OF ACETYLCHOLINESTERASE COMPLEXED WITH (-)-GALANTHAMINE AT 2.3A RESOLUTION

PDB ID 1dx6

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