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2bdy

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[[Image:2bdy.jpg|left|200px]]<br /><applet load="2bdy" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:2bdy.jpg|left|200px]]
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caption="2bdy, resolution 1.610&Aring;" />
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'''thrombin in complex with inhibitor'''<br />
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{{Structure
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|PDB= 2bdy |SIZE=350|CAPTION= <scene name='initialview01'>2bdy</scene>, resolution 1.610&Aring;
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|SITE=
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|LIGAND= <scene name='pdbligand=NA:SODIUM+ION'>NA</scene> and <scene name='pdbligand=UNB:N-(4-CARBAMIMIDOYL-BENZYL)-2-[2-HYDROXY-6-METHYL-3-(NAPHTHALENE-1-SULFONYLAMINO)-PHENYL]-ACETAMIDE'>UNB</scene>
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|ACTIVITY= [http://en.wikipedia.org/wiki/Thrombin Thrombin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.5 3.4.21.5]
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|GENE=
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}}
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'''thrombin in complex with inhibitor'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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2BDY is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with <scene name='pdbligand=NA:'>NA</scene> and <scene name='pdbligand=UNB:'>UNB</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Thrombin Thrombin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.5 3.4.21.5] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2BDY OCA].
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2BDY is a [[Protein complex]] structure of sequences 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=2BDY OCA].
==Reference==
==Reference==
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Phenolic P2/P3 core motif as thrombin inhibitors--design, synthesis, and X-ray co-crystal structure., Hanessian S, Therrien E, van Otterlo WA, Bayrakdarian M, Nilsson I, Fjellstrom O, Xue Y, Bioorg Med Chem Lett. 2006 Feb 15;16(4):1032-6. Epub 2005 Nov 15. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=16290930 16290930]
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Phenolic P2/P3 core motif as thrombin inhibitors--design, synthesis, and X-ray co-crystal structure., Hanessian S, Therrien E, van Otterlo WA, Bayrakdarian M, Nilsson I, Fjellstrom O, Xue Y, Bioorg Med Chem Lett. 2006 Feb 15;16(4):1032-6. Epub 2005 Nov 15. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/16290930 16290930]
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
[[Category: Protein complex]]
[[Category: Protein complex]]
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[[Category: thrombin]]
[[Category: thrombin]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 16:36:45 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 16:00:47 2008''

Revision as of 14:00, 20 March 2008

Image:2bdy.jpg


PDB ID 2bdy

Drag the structure with the mouse to rotate
, resolution 1.610Å
Ligands: and
Activity: Thrombin, with EC number 3.4.21.5
Coordinates: save as pdb, mmCIF, xml



thrombin in complex with inhibitor


Contents

Overview

Prototypical thrombin inhibitors were synthesized based on a trisubstituted phenol as a core motif. A naphthylsulfonamide analogue showed excellent antithrombin activity. An X-ray co-crystal structure showed the expected interactions.

Disease

Known diseases associated with this structure: Dysprothrombinemia OMIM:[176930], Hyperprothrombinemia OMIM:[176930], Hypoprothrombinemia OMIM:[176930]

About this Structure

2BDY is a Protein complex structure of sequences from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Phenolic P2/P3 core motif as thrombin inhibitors--design, synthesis, and X-ray co-crystal structure., Hanessian S, Therrien E, van Otterlo WA, Bayrakdarian M, Nilsson I, Fjellstrom O, Xue Y, Bioorg Med Chem Lett. 2006 Feb 15;16(4):1032-6. Epub 2005 Nov 15. PMID:16290930

Page seeded by OCA on Thu Mar 20 16:00:47 2008

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