2c1p
From Proteopedia
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| - | [[Image:2c1p.gif|left|200px]] | + | [[Image:2c1p.gif|left|200px]] |
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| - | '''FAB-FRAGMENT OF ENANTIOSELECTIVE ANTIBODY COMPLEXED WITH FINROZOLE''' | + | {{Structure |
| + | |PDB= 2c1p |SIZE=350|CAPTION= <scene name='initialview01'>2c1p</scene>, resolution 2.0Å | ||
| + | |SITE= <scene name='pdbsite=AC1:Fnz+Binding+Site+For+Chain+B'>AC1</scene> | ||
| + | |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> | ||
| + | |ACTIVITY= | ||
| + | |GENE= | ||
| + | }} | ||
| + | |||
| + | '''FAB-FRAGMENT OF ENANTIOSELECTIVE ANTIBODY COMPLEXED WITH FINROZOLE''' | ||
| + | |||
==Overview== | ==Overview== | ||
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==About this Structure== | ==About this Structure== | ||
| - | 2C1P is a [ | + | 2C1P is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Mus_musculus Mus musculus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2C1P OCA]. |
==Reference== | ==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:[http:// | + | 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:[http://www.ncbi.nlm.nih.gov/pubmed/16427081 16427081] |
[[Category: Mus musculus]] | [[Category: Mus musculus]] | ||
[[Category: Single protein]] | [[Category: Single protein]] | ||
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[[Category: immunoglobulin domain]] | [[Category: immunoglobulin domain]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 16:09:35 2008'' |
Revision as of 14:09, 20 March 2008
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| 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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