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1jgu

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[[Image:1jgu.jpg|left|200px]]<br /><applet load="1jgu" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:1jgu.jpg|left|200px]]
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caption="1jgu, resolution 1.8&Aring;" />
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'''STRUCTURAL BASIS FOR DISFAVORED ELIMINATION REACTION IN CATALYTIC ANTIBODY 1D4'''<br />
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{{Structure
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|PDB= 1jgu |SIZE=350|CAPTION= <scene name='initialview01'>1jgu</scene>, resolution 1.8&Aring;
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|SITE=
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|LIGAND= <scene name='pdbligand=OH:HYDROXIDE+ION'>OH</scene> and <scene name='pdbligand=HBC:(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-2-YL)-PHENYL-METHANONE'>HBC</scene>
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|ACTIVITY=
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|GENE=
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}}
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'''STRUCTURAL BASIS FOR DISFAVORED ELIMINATION REACTION IN CATALYTIC ANTIBODY 1D4'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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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].
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1JGU is a [[Single protein]] structure of sequence 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=1JGU OCA].
==Reference==
==Reference==
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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]
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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://www.ncbi.nlm.nih.gov/pubmed/11724535 11724535]
[[Category: Mus musculus]]
[[Category: Mus musculus]]
[[Category: Single protein]]
[[Category: Single protein]]
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[[Category: igg fold]]
[[Category: igg fold]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 13:22:28 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 12:03:16 2008''

Revision as of 10:03, 20 March 2008

Image:1jgu.jpg


PDB ID 1jgu

Drag the structure with the mouse to rotate
, resolution 1.8Å
Ligands: and
Coordinates: save as pdb, mmCIF, xml



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

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