1jgu

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[[Image:1jgu.jpg|left|200px]]
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{{Structure
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The line below this paragraph, containing "STRUCTURE_1jgu", creates the "Structure Box" on the page.
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|LIGAND= <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>
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|RELATEDENTRY=[[1jgv|1JGV]]
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1jgu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1jgu OCA], [http://www.ebi.ac.uk/pdbsum/1jgu PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1jgu RCSB]</span>
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'''STRUCTURAL BASIS FOR DISFAVORED ELIMINATION REACTION IN CATALYTIC ANTIBODY 1D4'''
'''STRUCTURAL BASIS FOR DISFAVORED ELIMINATION REACTION IN CATALYTIC ANTIBODY 1D4'''
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[[Category: Lerner, R A.]]
[[Category: Lerner, R A.]]
[[Category: Wilson, I A.]]
[[Category: Wilson, I A.]]
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[[Category: igg fold]]
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[[Category: Igg fold]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri May 2 21:12:20 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 21:33:26 2008''
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Revision as of 18:12, 2 May 2008

Image:1jgu.jpg

Template:STRUCTURE 1jgu

STRUCTURAL BASIS FOR DISFAVORED ELIMINATION REACTION IN CATALYTIC ANTIBODY 1D4


Overview

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.

About this Structure

1JGU is a Single protein structure of sequence from Mus musculus. Full crystallographic information is available from OCA.

Reference

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:11724535 Page seeded by OCA on Fri May 2 21:12:20 2008

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