1F3D

CATALYTIC ANTIBODY 4B2 IN COMPLEX WITH ITS AMIDINIUM HAPTEN.

Summary for 1F3D

• Entry DOI: 10.2210/pdb1f3d/pdb
• Descriptor: CATALYTIC ANTIBODY 4B2, 2-(4-AMINOBENZYLAMINO)-3,4,5,6-TETRAHYDROPYRIDINIUM, SULFATE ION, ... (5 entities in total)
• Functional Keywords: catalytic antibody, amidinium, haptenic charge, immune system
• Biological source: Mus musculus (house mouse); More
• Total number of polymer chains: 4
• Total formula weight: 95502.78

Authors

Golinelli-Pimpaneau, B.,Goncalves, O.,Dintinger, T.,Blanchard, D.,Knossow, M.,Tellier, C. (deposition date: 2000-06-02, release date: 2000-09-13, Last modification date: 2024-10-30)

Primary citation

Golinelli-Pimpaneau, B.,Goncalves, O.,Dintinger, T.,Blanchard, D.,Knossow, M.,Tellier, C.
Structural evidence for a programmed general base in the active site of a catalytic antibody.
Proc.Natl.Acad.Sci.USA, 97:9892-9895, 2000

PubMed Abstract: The crystal structure of the complex of a catalytic antibody with its cationic hapten at 1.9-A resolution demonstrates that the hapten amidinium group is stabilized through an ionic pair interaction with the carboxylate of a combining-site residue. The location of this carboxylate allows it to act as a general base in an allylic rearrangement. When compared with structures of other antibody complexes in which the positive moiety of the hapten is stabilized mostly by cation-pi interactions, this structure shows that the amidinium moiety is a useful candidate to elicit a carboxylate in an antibody combining site at a predetermined location with respect to the hapten. More generally, this structure highlights the advantage of a bidentate hapten for the programmed positioning of a chemically reactive residue in an antibody through charge complementarity to the hapten.

PubMed: 10963661
DOI: 10.1073/pnas.97.18.9892

Experimental method

X-RAY DIFFRACTION (1.87 Å)