1ncw
From Proteopedia
(New page: 200px<br /> <applet load="1ncw" size="450" color="white" frame="true" align="right" spinBox="true" caption="1ncw, resolution 1.30Å" /> '''CATIONIC CYCLIZATIO...) |
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caption="1ncw, resolution 1.30Å" /> | caption="1ncw, resolution 1.30Å" /> | ||
'''CATIONIC CYCLIZATION ANTIBODY 4C6 IN COMPLEX WITH BENZOIC ACID'''<br /> | '''CATIONIC CYCLIZATION ANTIBODY 4C6 IN COMPLEX WITH BENZOIC ACID'''<br /> | ||
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==About this Structure== | ==About this Structure== | ||
| - | 1NCW 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 BEZ and GOL as [http://en.wikipedia.org/wiki/ligands ligands]. Full crystallographic information is available from [http:// | + | 1NCW 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=BEZ:'>BEZ</scene> and <scene name='pdbligand=GOL:'>GOL</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1NCW OCA]. |
==Reference== | ==Reference== | ||
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[[Category: immunoglobulin]] | [[Category: immunoglobulin]] | ||
| - | ''Page seeded by [http:// | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri Feb 15 16:28:20 2008'' |
Revision as of 14:28, 15 February 2008
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CATIONIC CYCLIZATION ANTIBODY 4C6 IN COMPLEX WITH BENZOIC ACID
Overview
Antibody 4C6 efficiently catalyzes a cationic cyclization reaction., Crystal structures of the antibody 4C6 Fab in complex with benzoic acid, and in complex with its eliciting hapten were determined to 1.30A and, 2.45A resolution, respectively. These crystal structures, together with, computational analysis, have elucidated a possible mechanism for the, monocyclization reaction. The hapten complex revealed a combining site, pocket with high shape complementarity to the hapten. This active site, cleft is dominated by aromatic residues that shield the highly reactive, carbocation intermediates from solvent and stabilize the carbocation, intermediates through cation-pi interactions. Modeling of an acyclic, olefinic sulfonate ester substrate and the transition state (TS), structures shows that the chair-like transition state is favored, and, trapping by water directly produces, trans-2-(dimethylphenylsilyl)-cyclohexanol, whereas the less favored, boat-like transition state leads to cyclohexene. The only significant, change observed upon hapten binding is a side-chain rotation of Trp(L89), which reorients to form the base of the combining site. Intriguingly, a, benzoic acid molecule was sequestered in the combining site of the, unliganded antibody. The 4C6 active site was compared to that observed in, a previously reported tandem cyclization antibody 19A4 hapten complex., These cationic cyclization antibodies exhibit convergent structural, features with terpenoid cyclases that appear to be important for, catalysis.
About this Structure
1NCW is a Single protein structure of sequence from Mus musculus with and as ligands. Full crystallographic information is available from OCA.
Reference
Structural basis for antibody catalysis of a cationic cyclization reaction., Zhu X, Heine A, Monnat F, Houk KN, Janda KD, Wilson IA, J Mol Biol. 2003 May 23;329(1):69-83. PMID:12742019
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