2c1p

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[[Image:2c1p.gif|left|200px]]
[[Image:2c1p.gif|left|200px]]
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{{Structure
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|PDB= 2c1p |SIZE=350|CAPTION= <scene name='initialview01'>2c1p</scene>, resolution 2.0&Aring;
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The line below this paragraph, containing "STRUCTURE_2c1p", creates the "Structure Box" on the page.
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|SITE= <scene name='pdbsite=AC1:Fnz+Binding+Site+For+Chain+B'>AC1</scene>
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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|LIGAND= <scene name='pdbligand=FNZ:4-[(1S,2R)-3-(4-FLUOROPHENYL)-2-HYDROXY-1-(1H-1,2,4-TRIAZOL-1-YL)PROPYL]BENZONITRILE'>FNZ</scene>
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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|ACTIVITY=
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|GENE=
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|DOMAIN=
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{{STRUCTURE_2c1p| PDB=2c1p | SCENE= }}
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|RELATEDENTRY=
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|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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}}
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'''FAB-FRAGMENT OF ENANTIOSELECTIVE ANTIBODY COMPLEXED WITH FINROZOLE'''
'''FAB-FRAGMENT OF ENANTIOSELECTIVE ANTIBODY COMPLEXED WITH FINROZOLE'''
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[[Category: Parkkinen, T.]]
[[Category: Parkkinen, T.]]
[[Category: Rouvinen, J.]]
[[Category: Rouvinen, J.]]
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[[Category: antibody]]
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[[Category: Antibody]]
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[[Category: enantioselective]]
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[[Category: Enantioselective]]
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[[Category: enantioselective antibody]]
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[[Category: Enantioselective antibody]]
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[[Category: fab fragment]]
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[[Category: Fab fragment]]
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[[Category: finrozole]]
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[[Category: Finrozole]]
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[[Category: immune system]]
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[[Category: Immune system]]
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[[Category: immunoglobulin domain]]
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[[Category: Immunoglobulin domain]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 21:06:42 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 02:14:58 2008''
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Revision as of 18:06, 3 May 2008

Image:2c1p.gif

Template:STRUCTURE 2c1p

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 Page seeded by OCA on Sat May 3 21:06:42 2008

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