1c5c

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1c5c, resolution 1.61Å

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DECARBOXYLASE CATALYTIC ANTIBODY 21D8-HAPTEN COMPLEX

Overview

Antibody 21D8 catalyzes the solvent-sensitive decarboxylation of, 3-carboxybenzisoxazoles. The crystal structure of chimeric Fab 21D8 with, and without hapten at 1.61 A and 2.10 A, respectively, together with, computational analysis, shows how a melange of polar and non-polar sites, are exploited to achieve both substrate binding and acceleration of a, reaction normally facilitated by purely aprotic dipolar media. The, striking similarity of the decarboxylase and a series of unrelated, esterase antibodies also highlights the chemical versatility of, structurally conserved anion binding sites and the relatively subtle, changes involved in fine-tuning the immunoglobulin pocket for recognition, of different ligands and catalysis of different reactions.

About this Structure

1C5C is a Protein complex structure of sequences from Mus musculus + homo sapiens with TK4 and GOL as ligands. Full crystallographic information is available from OCA.

Reference

Catalysis of decarboxylation by a preorganized heterogeneous microenvironment: crystal structures of abzyme 21D8., Hotta K, Lange H, Tantillo DJ, Houk KN, Hilvert D, Wilson IA, J Mol Biol. 2000 Oct 6;302(5):1213-25. PMID:11183784

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