3fo1

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[[Image:3fo1.png|left|200px]]
 
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{{STRUCTURE_3fo1| PDB=3fo1 | SCENE= }}
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==Crystal structure of hapten complex of catalytic elimination antibody 13G5 (Glu(L39)Ala mutant)==
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<StructureSection load='3fo1' size='340' side='right'caption='[[3fo1]], [[Resolution|resolution]] 2.20&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[3fo1]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] and [https://en.wikipedia.org/wiki/Mus_musculus Mus musculus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3FO1 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3FO1 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]] 2.2&#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=BZH:5-[(2-AMINO-1H-BENZIMIDAZOL-6-YL)AMINO]-5-OXOPENTANOIC+ACID'>BZH</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=3fo1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3fo1 OCA], [https://pdbe.org/3fo1 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3fo1 RCSB], [https://www.ebi.ac.uk/pdbsum/3fo1 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3fo1 ProSAT]</span></td></tr>
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</table>
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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/fo/3fo1_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=3fo1 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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Design of catalysts featuring multiple functional groups is a desirable, yet formidable goal. Antibody 13G5, which accelerates the cleavage of unactivated benzisoxazoles, is one of few artificial enzymes that harness an acid and a base to achieve efficient proton transfer. X-ray structures of the Fab-hapten complexes of wild-type 13G5 and active-site variants now afford detailed insights into its mechanism. The parent antibody preorganizes Asp(H35) and Glu(L34) to abstract a proton from substrate and to orient a water molecule for leaving group stabilization, respectively. Remodeling the environment of the hydrogen bond donor with a compensatory network of ordered waters, as seen in the Glu(L34) to alanine mutant, leads to an impressive 10(9)-fold rate acceleration over the nonenzymatic reaction with acetate, illustrating the utility of buried water molecules in bifunctional catalysis. Generalization of these design principles may aid in creation of catalysts for other important chemical transformations.
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===Crystal structure of hapten complex of catalytic elimination antibody 13G5 (Glu(L39)Ala mutant)===
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An aspartate and a water molecule mediate efficient acid-base catalysis in a tailored antibody pocket.,Debler EW, Muller R, Hilvert D, Wilson IA Proc Natl Acad Sci U S A. 2009 Nov 3;106(44):18539-44. Epub 2009 Oct 21. PMID:19846764<ref>PMID:19846764</ref>
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{{ABSTRACT_PUBMED_19846764}}
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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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==About this Structure==
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<div class="pdbe-citations 3fo1" style="background-color:#fffaf0;"></div>
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[[3fo1]] is a 4 chain structure of [[Antibody]] with sequence from [http://en.wikipedia.org/wiki/Mus_musculus,_homo_sapiens Mus musculus, homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3FO1 OCA].
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==See Also==
==See Also==
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*[[Antibody|Antibody]]
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*[[Monoclonal Antibodies 3D structures|Monoclonal Antibodies 3D structures]]
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== References ==
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==Reference==
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<references/>
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<ref group="xtra">PMID:019846764</ref><references group="xtra"/>
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__TOC__
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[[Category: Mus musculus, homo sapiens]]
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</StructureSection>
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[[Category: Debler, E W.]]
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[[Category: Homo sapiens]]
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[[Category: Wilson, I A.]]
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[[Category: Large Structures]]
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[[Category: Acid base catalysis]]
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[[Category: Mus musculus]]
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[[Category: Catalytic antibody]]
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[[Category: Debler EW]]
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[[Category: Chimeric fab]]
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[[Category: Wilson IA]]
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[[Category: Hapten complex]]
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[[Category: Immune system]]
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[[Category: Immunoglobulin]]
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[[Category: Immunoglobulin domain]]
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[[Category: Proton transfer]]
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Current revision

Crystal structure of hapten complex of catalytic elimination antibody 13G5 (Glu(L39)Ala mutant)

PDB ID 3fo1

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