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Insights into antibody catalysis: Structure of an oxygenation catalyst at 1.9-Å resolution

Hsieh-Wilson, Linda C. and Schultz, Peter G. and Stevens, Raymond C. (1996) Insights into antibody catalysis: Structure of an oxygenation catalyst at 1.9-Å resolution. Proceedings of the National Academy of Sciences of the United States of America, 93 (11). pp. 5363-5367. ISSN 0027-8424. PMCID PMC39251.

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The x-ray crystal structures of the sulfide oxidase antibody 28B4 and of antibody 28B4 complexed with hapten have been solved at 2.2-Å and 1.9-Å resolution, respectively. To our knowledge, these structures are the highest resolution catalytic antibody structures to date and provide insight into the molecular mechanism of this antibody-catalyzed monooxygenation reaction. Specifically, the data suggest that entropic restriction plays a fundamental role in catalysis through the precise alignment of the thioether substrate and oxidant. The antibody active site also stabilizes developing charge on both sulfur and periodate in the transition state via cation-pi and electrostatic interactions, respectively. In addition to demonstrating that the active site of antibody 28B4 does indeed reflect the mechanistic information programmed in the aminophosphonic acid hapten, these high-resolution structures provide a basis for enhancing turnover rates through mutagenesis and improved hapten design.

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Hsieh-Wilson, Linda C.0000-0001-5661-1714
Additional Information:© 1996 by the National Academy of Sciences. Contributed by Peter G. Schultz, January 24, 1996. We gratefully acknowledge R. Crawford and O. Littlefield for assistance with the data collection. We thank H. Ulrich, G. Wedemayer, T. Wilson, and P. Yang for helpful discussions. This work was supported by the National Institutes of Health (Grant No. RO1AI24695). P.G.S. is a Howard Hughes Medical Institute Investigator. L.C.H.-W. thanks the National Science Foundation and American Chemical Society for predoctoral fellowships. The atomic coordinates and structure factors have been deposited in the Protein Data Bank, Chemistry Department, Brookhaven National Laboratory, Upton, NY 11973 [references IKEL (hapten-Fab), IKEM (apo-Fab), RlKELSF (hapten-Fab), and R1KEMSF (apo-Fab)]. The publication costs of this article were defrayed in part by page charge payment. This article must therefore be hereby marked "advertisement" in accordance with 18 U.S.C. §1734 solely to indicate this fact.
Funding AgencyGrant Number
Howard Hughes Medical Institute (HHMI)UNSPECIFIED
NSF Predoctoral FellowshipUNSPECIFIED
American Chemical SocietyUNSPECIFIED
Subject Keywords:crystal structure, catalytic antibody, oxidation, cation-pi interactions, 3-dimensional structure, antigen, mechanism, phosphorylcholine, sulfides, complex, binding
Issue or Number:11
PubMed Central ID:PMC39251
Record Number:CaltechAUTHORS:HSIpnas96
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Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:1004
Deposited By: Tony Diaz
Deposited On:01 Dec 2005
Last Modified:02 Oct 2019 22:39

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