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[[Image:1jgu.jpg|left|200px]]<br /><applet load="1jgu" size="350" color="white" frame="true" align="right" spinBox="true"
caption="1jgu, resolution 1.8&Aring;" />
'''STRUCTURAL BASIS FOR DISFAVORED ELIMINATION REACTION IN CATALYTIC ANTIBODY 1D4'''<br />


==Overview==
==STRUCTURAL BASIS FOR DISFAVORED ELIMINATION REACTION IN CATALYTIC ANTIBODY 1D4==
Murine antibody 1D4 selectively catalyzes a highly disfavored, beta-elimination reaction. Crystal structures of unliganded 1D4 and 1D4 in, complex with a transition-state analog (TSA) have elucidated a possible, general base mode of catalysis. The structures of the unliganded and, liganded Fabs were determined to 1.80 and 1.85 A resolution, respectively., The structure of the complex reveals a binding pocket with high shape, complementarity to the TSA, which is recruited to coerce the substrate, into the sterically demanding, eclipsed conformation that is required for, catalysis. A histidine residue and two water molecules are likely involved, in the catalysis. The structure supports either a concerted E2 or stepwise, E1cB-like mechanism for elimination. Finally, the liganded 1D4 structure, shows minor conformational rearrangements in CDR H2, indicative of, induced-fit binding of the hapten. 1D4 has pushed the boundaries of, antibody-mediated catalysis into the realm of disfavored reactions and, hence, represents an important milestone in the development of this, technology.
<StructureSection load='1jgu' size='340' side='right'caption='[[1jgu]], [[Resolution|resolution]] 1.80&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[1jgu]] 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=1JGU OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1JGU FirstGlance]. <br>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.8&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=HBC:(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-2-YL)-PHENYL-METHANONE'>HBC</scene>, <scene name='pdbligand=OH:HYDROXIDE+ION'>OH</scene></td></tr>
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1jgu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1jgu OCA], [https://pdbe.org/1jgu PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1jgu RCSB], [https://www.ebi.ac.uk/pdbsum/1jgu PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1jgu ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/Q52L64_MOUSE Q52L64_MOUSE]
== Evolutionary Conservation ==
[[Image:Consurf_key_small.gif|200px|right]]
Check<jmol>
  <jmolCheckbox>
    <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/jg/1jgu_consurf.spt"</scriptWhenChecked>
    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
    <text>to colour the structure by Evolutionary Conservation</text>
  </jmolCheckbox>
</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=1jgu ConSurf].
<div style="clear:both"></div>


==About this Structure==
==See Also==
1JGU is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Mus_musculus Mus musculus] with <scene name='pdbligand=OH:'>OH</scene> and <scene name='pdbligand=HBC:'>HBC</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1JGU OCA].
*[[Monoclonal Antibodies 3D structures|Monoclonal Antibodies 3D structures]]
 
__TOC__
==Reference==
</StructureSection>
Structural basis for a disfavored elimination reaction in catalytic antibody 1D4., Larsen NA, Heine A, Crane L, Cravatt BF, Lerner RA, Wilson IA, J Mol Biol. 2001 Nov 16;314(1):93-102. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=11724535 11724535]
[[Category: Large Structures]]
[[Category: Mus musculus]]
[[Category: Mus musculus]]
[[Category: Single protein]]
[[Category: Crane L]]
[[Category: Crane, L.]]
[[Category: Cravatt BF]]
[[Category: Cravatt, B.F.]]
[[Category: Heine A]]
[[Category: Heine, A.]]
[[Category: Larsen NA]]
[[Category: Larsen, N.A.]]
[[Category: Lerner RA]]
[[Category: Lerner, R.A.]]
[[Category: Wilson IA]]
[[Category: Wilson, I.A.]]
[[Category: HBC]]
[[Category: OH]]
[[Category: igg fold]]
 
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri Feb 15 16:07:18 2008''

Latest revision as of 10:52, 3 April 2024

STRUCTURAL BASIS FOR DISFAVORED ELIMINATION REACTION IN CATALYTIC ANTIBODY 1D4STRUCTURAL BASIS FOR DISFAVORED ELIMINATION REACTION IN CATALYTIC ANTIBODY 1D4

Structural highlights

1jgu is a 2 chain structure with sequence from Mus musculus. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:X-ray diffraction, Resolution 1.8Å
Ligands:,
Resources:FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

Q52L64_MOUSE

Evolutionary Conservation

Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf.

See Also

1jgu, resolution 1.80Å

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