1kel

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[[Image:1kel.jpg|left|200px]]
 
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{{Structure
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==CATALYTIC ANTIBODY 28B4 FAB FRAGMENT COMPLEXED WITH HAPTEN (1-[N-4'-NITROBENZYL-N-4'-CARBOXYBUTYLAMINO] METHYLPHOSPHONIC ACID)==
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|PDB= 1kel |SIZE=350|CAPTION= <scene name='initialview01'>1kel</scene>, resolution 1.90&Aring;
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<StructureSection load='1kel' size='340' side='right'caption='[[1kel]], [[Resolution|resolution]] 1.90&Aring;' scene=''>
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|SITE=
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== Structural highlights ==
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|LIGAND= <scene name='pdbligand=AAH:1-[N-4&#39;-NITROBENZYL-N-4&#39;-CARBOXYBUTYLAMINO]METHYLPHOSPHONIC+ACID'>AAH</scene>
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<table><tr><td colspan='2'>[[1kel]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Mus_musculus Mus musculus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1KEL OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1KEL FirstGlance]. <br>
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|ACTIVITY=
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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]] 1.9&#8491;</td></tr>
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|GENE=
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=AAH:1-[N-4-NITROBENZYL-N-4-CARBOXYBUTYLAMINO]METHYLPHOSPHONIC+ACID'>AAH</scene></td></tr>
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|DOMAIN=
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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=1kel FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1kel OCA], [https://pdbe.org/1kel PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1kel RCSB], [https://www.ebi.ac.uk/pdbsum/1kel PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1kel ProSAT]</span></td></tr>
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|RELATEDENTRY=
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</table>
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1kel FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1kel OCA], [http://www.ebi.ac.uk/pdbsum/1kel PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1kel RCSB]</span>
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== Evolutionary Conservation ==
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}}
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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/ke/1kel_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=1kel 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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The x-ray crystal structures of the sulfide oxidase antibody 28B4 and of antibody 28B4 complexed with hapten have been solved at 2.2-angstrom and 1.9-angstrom resolution, respectively. To our knowledge, these structures are the highest resolution catalytic antibody structures to date and provide insight into the molecular mechanism of this antibody-catalyzed monooxygenation reaction. Specifically, the data suggest that entropic restriction plays a fundamental role in catalysis through the precise alignment of the thioether substrate and oxidant. The antibody active site also stabilizes developing charge on both sulfur and periodate in the transition state via cation-pi and electrostatic interactions, respectively. In addition to demonstrating that the active site of antibody 28B4 does indeed reflect the mechanistic information programmed in the aminophosphonic acid hapten, these high-resolution structures provide a basis for enhancing turnover rates through mutagenesis and improved hapten design.
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'''CATALYTIC ANTIBODY 28B4 FAB FRAGMENT COMPLEXED WITH HAPTEN (1-[N-4'-NITROBENZYL-N-4'-CARBOXYBUTYLAMINO] METHYLPHOSPHONIC ACID)'''
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Insights into antibody catalysis: structure of an oxygenation catalyst at 1.9-angstrom resolution.,Hsieh-Wilson LC, Schultz PG, Stevens RC Proc Natl Acad Sci U S A. 1996 May 28;93(11):5363-7. PMID:8643580<ref>PMID:8643580</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 1kel" style="background-color:#fffaf0;"></div>
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==Overview==
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==See Also==
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The x-ray crystal structures of the sulfide oxidase antibody 28B4 and of antibody 28B4 complexed with hapten have been solved at 2.2-angstrom and 1.9-angstrom resolution, respectively. To our knowledge, these structures are the highest resolution catalytic antibody structures to date and provide insight into the molecular mechanism of this antibody-catalyzed monooxygenation reaction. Specifically, the data suggest that entropic restriction plays a fundamental role in catalysis through the precise alignment of the thioether substrate and oxidant. The antibody active site also stabilizes developing charge on both sulfur and periodate in the transition state via cation-pi and electrostatic interactions, respectively. In addition to demonstrating that the active site of antibody 28B4 does indeed reflect the mechanistic information programmed in the aminophosphonic acid hapten, these high-resolution structures provide a basis for enhancing turnover rates through mutagenesis and improved hapten design.
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*[[Monoclonal Antibodies 3D structures|Monoclonal Antibodies 3D structures]]
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== References ==
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==About this Structure==
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<references/>
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1KEL is a [[Protein complex]] 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=1KEL OCA].
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__TOC__
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</StructureSection>
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==Reference==
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[[Category: Large Structures]]
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Insights into antibody catalysis: structure of an oxygenation catalyst at 1.9-angstrom resolution., Hsieh-Wilson LC, Schultz PG, Stevens RC, Proc Natl Acad Sci U S A. 1996 May 28;93(11):5363-7. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/8643580 8643580]
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[[Category: Mus musculus]]
[[Category: Mus musculus]]
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[[Category: Protein complex]]
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[[Category: Hsieh-Wilson LC]]
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[[Category: Hsieh-Wilson, L C.]]
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[[Category: Schultz PG]]
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[[Category: Schultz, P G.]]
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[[Category: Stevens RC]]
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[[Category: Stevens, R C.]]
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[[Category: catalytic antibody]]
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[[Category: fab]]
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[[Category: immunoglobulin]]
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[[Category: monooxygenase]]
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[[Category: oxygenation]]
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[[Category: sulfide oxidation]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 21:47:27 2008''
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Current revision

CATALYTIC ANTIBODY 28B4 FAB FRAGMENT COMPLEXED WITH HAPTEN (1-[N-4'-NITROBENZYL-N-4'-CARBOXYBUTYLAMINO] METHYLPHOSPHONIC ACID)

PDB ID 1kel

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