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2c1p
From Proteopedia
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|ACTIVITY= | |ACTIVITY= | ||
|GENE= | |GENE= | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY= | ||
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2c1p FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2c1p OCA], [http://www.ebi.ac.uk/pdbsum/2c1p PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2c1p RCSB]</span> | ||
}} | }} | ||
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[[Category: Parkkinen, T.]] | [[Category: Parkkinen, T.]] | ||
[[Category: Rouvinen, J.]] | [[Category: Rouvinen, J.]] | ||
| - | [[Category: FNZ]] | ||
[[Category: antibody]] | [[Category: antibody]] | ||
[[Category: enantioselective]] | [[Category: enantioselective]] | ||
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[[Category: immunoglobulin domain]] | [[Category: immunoglobulin domain]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 02:14:58 2008'' |
Revision as of 23:15, 30 March 2008
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| , resolution 2.0Å | |||||||
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| Sites: | |||||||
| Ligands: | |||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
FAB-FRAGMENT OF ENANTIOSELECTIVE ANTIBODY COMPLEXED WITH FINROZOLE
Overview
Enantioselective antibodies can separate the enantiomers of a chiral compound in a highly specific manner. We have recently reported the cloning and applications of a recombinant Fab-fragment, ENA11His, in the enantioseparation of a drug candidate, finrozole, which contains two chiral centers. Here, the crystal structures of this enantioselective antibody Fab-fragment are determined in the absence of the hapten at a resolution of 2.75 A, and in the presence of the hapten at 2.05 A resolution. The conformation of the protein was found to be similar in both free and complex forms. The hapten molecule was tightly bound in a deep cleft between the light and heavy chains of the Fab-fragment. The complex structure also allowed us to describe the molecular basis for enantioselectivity and to deduce the absolute configurations of all the four different stereoisomers (a-d) of finrozole. The ENA11His antibody fragment selectively binds the SR (a) enantiomer from the racemic mixture of a and d-enantiomers, thus allowing separation from the pharmacologically most active RS enantiomer (d). In particular, Asp95 and Asn35 of the H-chain in the ENA11 His antibody seem to provide this specificity through hydrogen bonding.
About this Structure
2C1P is a Single protein structure of sequence from Mus musculus. Full crystallographic information is available from OCA.
Reference
Crystal structures of an enantioselective fab-fragment in free and complex forms., Parkkinen T, Nevanen TK, Koivula A, Rouvinen J, J Mol Biol. 2006 Mar 24;357(2):471-80. Epub 2006 Jan 3. PMID:16427081
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