1jgu: Difference between revisions
No edit summary |
No edit summary |
||
| Line 4: | Line 4: | ||
|PDB= 1jgu |SIZE=350|CAPTION= <scene name='initialview01'>1jgu</scene>, resolution 1.8Å | |PDB= 1jgu |SIZE=350|CAPTION= <scene name='initialview01'>1jgu</scene>, resolution 1.8Å | ||
|SITE= | |SITE= | ||
|LIGAND= | |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> | ||
|ACTIVITY= | |ACTIVITY= | ||
|GENE= | |GENE= | ||
|DOMAIN= | |||
|RELATEDENTRY=[[1jgv|1JGV]] | |||
|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> | |||
}} | }} | ||
| Line 28: | Line 31: | ||
[[Category: Lerner, R A.]] | [[Category: Lerner, R A.]] | ||
[[Category: Wilson, I A.]] | [[Category: Wilson, I A.]] | ||
[[Category: igg fold]] | [[Category: igg fold]] | ||
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 21:33:26 2008'' | ||
Revision as of 21:33, 30 March 2008
| |||||||
| , resolution 1.8Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | , | ||||||
| Related: | 1JGV
| ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
STRUCTURAL BASIS FOR DISFAVORED ELIMINATION REACTION IN CATALYTIC ANTIBODY 1D4
OverviewOverview
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 StructureAbout this Structure
1JGU is a Single protein structure of sequence from Mus musculus. Full crystallographic information is available from OCA.
ReferenceReference
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 Sun Mar 30 21:33:26 2008