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3hat

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[[Image:3hat.jpg|left|200px]]
[[Image:3hat.jpg|left|200px]]
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{{Structure
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<!--
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|PDB= 3hat |SIZE=350|CAPTION= <scene name='initialview01'>3hat</scene>, resolution 2.5&Aring;
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The line below this paragraph, containing "STRUCTURE_3hat", creates the "Structure Box" on the page.
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|SITE=
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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=ABN:BENZYLAMINE'>ABN</scene>, <scene name='pdbligand=MBN:TOLUENE'>MBN</scene>, <scene name='pdbligand=RNG:(6,10-DIOXO-OCTAHYDRO-PYRIDAZINO[1,2-A][1,2]DIAZEPIN-1-YL)-ACETALDEHYDE+FRAGMENT'>RNG</scene>, <scene name='pdbligand=SO3:SULFITE+ION'>SO3</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= <span class='plainlinks'>[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] </span>
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or leave the SCENE parameter empty for the default display.
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|GENE=
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|DOMAIN=
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{{STRUCTURE_3hat| PDB=3hat | 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=3hat FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3hat OCA], [http://www.ebi.ac.uk/pdbsum/3hat PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=3hat RCSB]</span>
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}}
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'''ACTIVE SITE MIMETIC INHIBITION OF THROMBIN'''
'''ACTIVE SITE MIMETIC INHIBITION OF THROMBIN'''
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==About this Structure==
==About this Structure==
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3HAT is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. This structure supersedes the now removed PDB entry 2HAT. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3HAT OCA].
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3HAT is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. This structure supersedes the now removed PDB entry [http://oca.weizmann.ac.il/oca-bin/send-pdb?obs=1&id=2hat 2hat]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3HAT OCA].
==Reference==
==Reference==
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[[Category: Mathews, I I.]]
[[Category: Mathews, I I.]]
[[Category: Tulinsky, A.]]
[[Category: Tulinsky, A.]]
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[[Category: complex (serine protease/inhibitor)]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 22:03:32 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 05:33:47 2008''
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Revision as of 19:03, 4 May 2008

Template:STRUCTURE 3hat

ACTIVE SITE MIMETIC INHIBITION OF THROMBIN


Overview

The structures of two mimetic inhibitor complexes of human alpha-thrombin have been determined by X-ray crystallography. One mimics a beta-turn with a bicyclic ring system; the other mimics two different active-site binding modes. The beta-turn mimetic is used to approximate a turn found in the conformation of fibrinopeptide A, which is catalytically released by thrombin in the activation of fibrinogen to fibrin. The binding of the second mimetic is a hybrid between normal substrate and the abnormal binding of the potent natural leech inhibitor hirudin. The binding of the beta-turn mimetic is tenuous, because it is like a substrate, while that of the substrate-hirudin hybrid is that of a tenacious inhibitor (which it is). Structurally retrospect modifications for rational design and improvement of both mimetic inhibitors are proposed.

About this Structure

3HAT is a Single protein structure of sequence from Homo sapiens. This structure supersedes the now removed PDB entry 2hat. Full crystallographic information is available from OCA.

Reference

Active-site mimetic inhibition of thrombin., Mathews II, Tulinsky A, Acta Crystallogr D Biol Crystallogr. 1995 Jul 1;51(Pt 4):550-9. PMID:15299843 Page seeded by OCA on Sun May 4 22:03:32 2008

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