1tx8

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[[Image:1tx8.gif|left|200px]]
[[Image:1tx8.gif|left|200px]]
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{{Structure
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<!--
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|PDB= 1tx8 |SIZE=350|CAPTION= <scene name='initialview01'>1tx8</scene>, resolution 1.7&Aring;
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The line below this paragraph, containing "STRUCTURE_1tx8", 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=AM4:4-(METHYLSULFONYL)BENZENECARBOXIMIDAMIDE'>AM4</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</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/Trypsin Trypsin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.4 3.4.21.4] </span>
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or leave the SCENE parameter empty for the default display.
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|GENE=
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-->
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|DOMAIN=
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{{STRUCTURE_1tx8| PDB=1tx8 | SCENE= }}
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|RELATEDENTRY=[[1tx7|1TX7]]
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1tx8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1tx8 OCA], [http://www.ebi.ac.uk/pdbsum/1tx8 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1tx8 RCSB]</span>
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}}
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'''Bovine Trypsin complexed with AMSO'''
'''Bovine Trypsin complexed with AMSO'''
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[[Category: Trypsin]]
[[Category: Trypsin]]
[[Category: Mesecar, A D.]]
[[Category: Mesecar, A D.]]
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[[Category: trypsin]]
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[[Category: Trypsin]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 10:28:47 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 00:02:19 2008''
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Revision as of 07:28, 3 May 2008

Image:1tx8.gif

Template:STRUCTURE 1tx8

Bovine Trypsin complexed with AMSO


Overview

We have designed, synthesized, and evaluated the factor Xa inhibitory activities of p-amidinophenyl-sulfones, amines, and alcohols intended to take advantage of the polarity and hydrogen-bonding potential of the oxyanion hole region of the S1 specificity pocket. We demonstrate that placement of an anionic group within the oxyanion hole region of the catalytic site substantially enhances activity, with small flexible groups favored over bulkier ones. Ab initio pKa calculations suggest that the hydroxyl substituent frequently used for benzamidine moieties may be ionized to form an anionic group, consistent with the general trend. One nonamidine based substituent also shows promising activity.

About this Structure

1TX8 is a Single protein structure of sequence from Bos taurus. Full crystallographic information is available from OCA.

Reference

Design, synthesis, and evaluation of oxyanion-hole selective inhibitor substituents for the S1 subsite of factor Xa., Rumthao S, Lee O, Sheng Q, Fu W, Mulhearn DC, Crich D, Mesecar AD, Johnson ME, Bioorg Med Chem Lett. 2004 Oct 18;14(20):5165-70. PMID:15380220 Page seeded by OCA on Sat May 3 10:28:47 2008

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OCA

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