1jbd

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(New page: 200px<br /><applet load="1jbd" size="450" color="white" frame="true" align="right" spinBox="true" caption="1jbd" /> '''NMR Structure of the Complex Between alpha-b...)
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[[Image:1jbd.gif|left|200px]]<br /><applet load="1jbd" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="1jbd" />
 
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'''NMR Structure of the Complex Between alpha-bungarotoxin and a Mimotope of the Nicotinic Acetilcholine Receptor'''<br />
 
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==Overview==
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==NMR Structure of the Complex Between alpha-bungarotoxin and a Mimotope of the Nicotinic Acetylcholine Receptor==
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A combinatorial library approach was used to produce synthetic peptides, mimicking the snake neurotoxin binding site of nicotinic receptors. Among, the sequences, which inhibited binding of alpha-bungarotoxin to muscle and, neuronal nicotinic receptors, HRYYESSLPWYPD, a 14-amino acid peptide with, considerably higher toxin-binding affinity than the other synthesized, peptides, was selected, and the structure of its complex with the toxin, was analyzed by NMR. Comparison of the solution structure of the free, toxin and its complex with this peptide indicated that complex formation, induced extensive conformational rearrangements mainly at finger II and, the carboxy terminus of the protein. The peptidyl residues P10 and Y4, seemed to be critical for peptide folding and complex stability, respectively. The latter residue of the peptide strongly interacted with, the protein by entering a small pocket delimited by D30, C33, S34, R36, and V39 toxin side chains.
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<StructureSection load='1jbd' size='340' side='right'caption='[[1jbd]]' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1jbd]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Bungarus_multicinctus Bungarus multicinctus]. This structure supersedes the now removed PDB entry [http://oca.weizmann.ac.il/oca-bin/send-pdb?obs=1&id=1hn7 1hn7]. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1JBD OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1JBD 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">Solution NMR</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=1jbd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1jbd OCA], [https://pdbe.org/1jbd PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1jbd RCSB], [https://www.ebi.ac.uk/pdbsum/1jbd PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1jbd ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/3L21A_BUNMU 3L21A_BUNMU] Binds with high affinity to muscular (tested on Torpedo marmorata, Kd=0.4 nM) and neuronal (tested on chimeric alpha-7/CHRNA7, Kd=0.95 nM) nicotinic acetylcholine receptor (nAChR) and inhibits acetylcholine from binding to the receptor, thereby impairing neuromuscular and neuronal transmission (PubMed:9305882). It also shows an activity on GABA(A) receptors (PubMed:16549768, PubMed:25634239). It antagonises GABA-activated currents with high potency when tested on primary hippocampal neurons (PubMed:25634239). It inhibits recombinantly expressed GABA(A) receptors composed of alpha-2-beta-2-gamma-2 (GABRA2-GABRB2-GABRG2) subunits with high potency (62.3% inhibition at 20 uM of toxin) (PubMed:25634239). It also shows a weaker inhibition on GABA(A) receptors composed of alpha-1-beta-2-gamma-2 (GABRA1-GABRB2-GABRG2) subunits, alpha-4-beta-2-gamma-2 (GABRA4-GABRB2-GABRG2) subunits, and alpha-5-beta-2-gamma-2 (GABRA5-GABRB2-GABRG2) subunits (PubMed:25634239). A very weak inhibition is also observed on GABA(A) receptor composed of alpha-1-beta-3-gamma-2 (GABRA1-GABRB3-GABRG2) (PubMed:26221036). It has also been shown to bind and inhibit recombinant GABA(A) receptor beta-3/GABRB3 subunit (Kd=about 50 nM) (PubMed:16549768). In addition, it blocks the extracellular increase of dopamine evoked by nicotine only at the higher dose (4.2 uM) (PubMed:9840221).<ref>PMID:16549768</ref> <ref>PMID:25634239</ref> <ref>PMID:9305882</ref> <ref>PMID:9840221</ref>
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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/jb/1jbd_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=1jbd ConSurf].
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<div style="clear:both"></div>
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==About this Structure==
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==See Also==
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1JBD is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Bungarus_multicinctus Bungarus multicinctus]. This structure superseeds the now removed PDB entry 1HN7. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1JBD OCA].
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*[[Bungarotoxin 3D structures|Bungarotoxin 3D structures]]
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== References ==
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==Reference==
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<references/>
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NMR structure of alpha-bungarotoxin free and bound to a mimotope of the nicotinic acetylcholine receptor., Scarselli M, Spiga O, Ciutti A, Bernini A, Bracci L, Lelli B, Lozzi L, Calamandrei D, Di Maro D, Klein S, Niccolai N, Biochemistry. 2002 Feb 5;41(5):1457-63. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=11814338 11814338]
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__TOC__
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</StructureSection>
[[Category: Bungarus multicinctus]]
[[Category: Bungarus multicinctus]]
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[[Category: Single protein]]
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[[Category: Large Structures]]
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[[Category: Bernini, A.]]
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[[Category: Bernini A]]
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[[Category: Bracci, L.]]
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[[Category: Bracci L]]
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[[Category: Calamandrei, D.]]
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[[Category: Calamandrei D]]
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[[Category: Ciutti, A.]]
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[[Category: Ciutti A]]
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[[Category: Klein, S.]]
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[[Category: Di Maro D]]
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[[Category: Lelli, B.]]
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[[Category: Klein S]]
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[[Category: Lozzi, L.]]
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[[Category: Lelli B]]
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[[Category: Maro, D.Di.]]
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[[Category: Lozzi L]]
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[[Category: Niccolai, N.]]
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[[Category: Niccolai N]]
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[[Category: Scarselli, M.]]
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[[Category: Scarselli M]]
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[[Category: Spiga, O.]]
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[[Category: Spiga O]]
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[[Category: achr]]
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[[Category: alpha-bungarotoxin]]
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[[Category: protein-peptide complex]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Nov 20 18:04:35 2007''
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Current revision

NMR Structure of the Complex Between alpha-bungarotoxin and a Mimotope of the Nicotinic Acetylcholine Receptor

PDB ID 1jbd

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