2qju

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[[Image:2qju.png|left|200px]]
 
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{{STRUCTURE_2qju| PDB=2qju | SCENE= }}
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==Crystal Structure of an NSS Homolog with Bound Antidepressant==
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<StructureSection load='2qju' size='340' side='right'caption='[[2qju]], [[Resolution|resolution]] 2.90&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[2qju]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Aquifex_aeolicus_VF5 Aquifex aeolicus VF5]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2QJU OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2QJU 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]] 2.9&#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=BOG:B-OCTYLGLUCOSIDE'>BOG</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=DSM:3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE'>DSM</scene>, <scene name='pdbligand=LEU:LEUCINE'>LEU</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</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=2qju FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2qju OCA], [https://pdbe.org/2qju PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2qju RCSB], [https://www.ebi.ac.uk/pdbsum/2qju PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2qju ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/O67854_AQUAE O67854_AQUAE]
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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/qj/2qju_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/main_output.php?pdb_ID=2qju 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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Tricyclic antidepressants exert their pharmacological effect-inhibiting the reuptake of serotonin, norepinephrine, and dopamine-by directly blocking neurotransmitter transporters (SERT, NET, and DAT, respectively) in the presynaptic membrane. The drug-binding site and the mechanism of this inhibition are poorly understood. We determined the crystal structure at 2.9 angstroms of the bacterial leucine transporter (LeuT), a homolog of SERT, NET, and DAT, in complex with leucine and the antidepressant desipramine. Desipramine binds at the inner end of the extracellular cavity of the transporter and is held in place by a hairpin loop and by a salt bridge. This binding site is separated from the leucine-binding site by the extracellular gate of the transporter. By directly locking the gate, desipramine prevents conformational changes and blocks substrate transport. Mutagenesis experiments on human SERT and DAT indicate that both the desipramine-binding site and its inhibition mechanism are probably conserved in the human neurotransmitter transporters.
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===Crystal Structure of an NSS Homolog with Bound Antidepressant===
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LeuT-desipramine structure reveals how antidepressants block neurotransmitter reuptake.,Zhou Z, Zhen J, Karpowich NK, Goetz RM, Law CJ, Reith ME, Wang DN Science. 2007 Sep 7;317(5843):1390-3. Epub 2007 Aug 9. PMID:17690258<ref>PMID:17690258</ref>
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{{ABSTRACT_PUBMED_17690258}}
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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 2qju" style="background-color:#fffaf0;"></div>
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==About this Structure==
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==See Also==
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[[2qju]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Aquifex_aeolicus Aquifex aeolicus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2QJU OCA].
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*[[Leucine transporter|Leucine transporter]]
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*[[Symporter 3D structures|Symporter 3D structures]]
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==Reference==
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== References ==
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<ref group="xtra">PMID:017690258</ref><references group="xtra"/>
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<references/>
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[[Category: Aquifex aeolicus]]
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__TOC__
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[[Category: Karpowich, N K.]]
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</StructureSection>
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[[Category: NYCOMPS, New York Consortium on Membrane Protein Structure.]]
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[[Category: Aquifex aeolicus VF5]]
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[[Category: Wang, D N.]]
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[[Category: Large Structures]]
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[[Category: Zhou, Z.]]
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[[Category: Karpowich NK]]
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[[Category: Antidepressant]]
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[[Category: Wang DN]]
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[[Category: Integral membrane protein]]
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[[Category: Zhou Z]]
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[[Category: Neurotransmitter]]
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[[Category: New york consortium on membrane protein structure]]
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[[Category: Nss]]
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[[Category: Nycomp]]
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[[Category: Protein structure initiative]]
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[[Category: Psi-2]]
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[[Category: Structural genomic]]
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[[Category: Transmembrane transport]]
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[[Category: Transport protein]]
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Current revision

Crystal Structure of an NSS Homolog with Bound Antidepressant

PDB ID 2qju

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