2fda

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[[Image:2fda.gif|left|200px]]<br /><applet load="2fda" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:2fda.gif|left|200px]]
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caption="2fda, resolution 2.00&Aring;" />
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'''Crystal Structure of the Catalytic Domain of Human Coagulation Factor XIa in Complex with alpha-Ketothiazole Arginine Derived Ligand'''<br />
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{{Structure
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|PDB= 2fda |SIZE=350|CAPTION= <scene name='initialview01'>2fda</scene>, resolution 2.00&Aring;
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|SITE=
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|LIGAND= <scene name='pdbligand=BCT:BICARBONATE+ION'>BCT</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene> and <scene name='pdbligand=682:N~2~-(AMINOCARBONYL)-N~1~-{4-{[AMINO(IMINO)METHYL]AMINO}-1-[HYDROXY(1,3-THIAZOL-2-YL)METHYL]BUTYL}VALINAMIDE'>682</scene>
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|ACTIVITY= [http://en.wikipedia.org/wiki/Coagulation_factor_XIa Coagulation factor XIa], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.27 3.4.21.27]
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|GENE= F11 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])
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}}
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'''Crystal Structure of the Catalytic Domain of Human Coagulation Factor XIa in Complex with alpha-Ketothiazole Arginine Derived Ligand'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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2FDA is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with <scene name='pdbligand=BCT:'>BCT</scene>, <scene name='pdbligand=SO4:'>SO4</scene> and <scene name='pdbligand=682:'>682</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Coagulation_factor_XIa Coagulation factor XIa], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.27 3.4.21.27] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2FDA OCA].
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2FDA is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2FDA OCA].
==Reference==
==Reference==
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Synthesis, SAR exploration, and X-ray crystal structures of factor XIa inhibitors containing an alpha-ketothiazole arginine., Deng H, Bannister TD, Jin L, Babine RE, Quinn J, Nagafuji P, Celatka CA, Lin J, Lazarova TI, Rynkiewicz MJ, Bibbins F, Pandey P, Gorga J, Meyers HV, Abdel-Meguid SS, Strickler JE, Bioorg Med Chem Lett. 2006 Jun 1;16(11):3049-54. Epub 2006 Mar 9. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=16524727 16524727]
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Synthesis, SAR exploration, and X-ray crystal structures of factor XIa inhibitors containing an alpha-ketothiazole arginine., Deng H, Bannister TD, Jin L, Babine RE, Quinn J, Nagafuji P, Celatka CA, Lin J, Lazarova TI, Rynkiewicz MJ, Bibbins F, Pandey P, Gorga J, Meyers HV, Abdel-Meguid SS, Strickler JE, Bioorg Med Chem Lett. 2006 Jun 1;16(11):3049-54. Epub 2006 Mar 9. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/16524727 16524727]
[[Category: Coagulation factor XIa]]
[[Category: Coagulation factor XIa]]
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
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[[Category: inhibitor]]
[[Category: inhibitor]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 17:20:10 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 16:51:01 2008''

Revision as of 14:51, 20 March 2008

Image:2fda.gif


PDB ID 2fda

Drag the structure with the mouse to rotate
, resolution 2.00Å
Ligands: , and
Gene: F11 (Homo sapiens)
Activity: Coagulation factor XIa, with EC number 3.4.21.27
Coordinates: save as pdb, mmCIF, xml



Crystal Structure of the Catalytic Domain of Human Coagulation Factor XIa in Complex with alpha-Ketothiazole Arginine Derived Ligand


Contents

Overview

Using an alpha-ketothiazole arginine moiety as a key recognition element, a series of small peptidomimetic molecules was designed and synthesized, and their co-crystal structures with factor XIa were studied in an effort to develop smaller, less peptidic inhibitors as antithrombotic agents.

Disease

Known diseases associated with this structure: Factor XI deficiency, autosomal dominant OMIM:[264900], Factor XI deficiency, autosomal recessive OMIM:[264900]

About this Structure

2FDA is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Synthesis, SAR exploration, and X-ray crystal structures of factor XIa inhibitors containing an alpha-ketothiazole arginine., Deng H, Bannister TD, Jin L, Babine RE, Quinn J, Nagafuji P, Celatka CA, Lin J, Lazarova TI, Rynkiewicz MJ, Bibbins F, Pandey P, Gorga J, Meyers HV, Abdel-Meguid SS, Strickler JE, Bioorg Med Chem Lett. 2006 Jun 1;16(11):3049-54. Epub 2006 Mar 9. PMID:16524727

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