2oqz

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[[Image:2oqz.jpg|left|200px]]
[[Image:2oqz.jpg|left|200px]]
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{{Structure
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<!--
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|PDB= 2oqz |SIZE=350|CAPTION= <scene name='initialview01'>2oqz</scene>, resolution 1.60&Aring;
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The line below this paragraph, containing "STRUCTURE_2oqz", 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=ACY:ACETIC+ACID'>ACY</scene>, <scene name='pdbligand=CS4:S-[3-(3,4-DICHLOROPHENYL)-3-OXOPROPYL]-L-CYSTEINE'>CS4</scene>, <scene name='pdbligand=MSE:SELENOMETHIONINE'>MSE</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/Cruzipain Cruzipain], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.22.51 3.4.22.51] </span>
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or leave the SCENE parameter empty for the default display.
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|GENE= BA_4783, BAS4438, GBAA4783 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1392 Bacillus anthracis])
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-->
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|DOMAIN=
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{{STRUCTURE_2oqz| PDB=2oqz | 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=2oqz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2oqz OCA], [http://www.ebi.ac.uk/pdbsum/2oqz PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2oqz RCSB]</span>
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}}
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'''The crystal structure of sortase B from B.anthracis in complex with AAEK2'''
'''The crystal structure of sortase B from B.anthracis in complex with AAEK2'''
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[[Category: Wu, R.]]
[[Category: Wu, R.]]
[[Category: Zhang, R.]]
[[Category: Zhang, R.]]
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[[Category: b anthracis]]
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[[Category: B anthracis]]
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[[Category: inhibitor]]
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[[Category: Inhibitor]]
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[[Category: sortase b protein]]
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[[Category: Sortase b protein]]
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[[Category: the great lakes regional center of excellence (glrce)]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 11:29:20 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 04:21:52 2008''
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Revision as of 08:29, 4 May 2008

Image:2oqz.jpg

Template:STRUCTURE 2oqz

The crystal structure of sortase B from B.anthracis in complex with AAEK2


Overview

Sortases anchor surface proteins to the cell wall of Gram-positive pathogens through recognition of specific motif sequences. Loss of sortase leads to large reductions in virulence, which identifies sortase as a target for the development of antibacterials. By screening 135,625 small molecules for inhibition, we report here that aryl (beta-amino)ethyl ketones inhibit sortase enzymes from staphylococci and bacilli. Inhibition of sortases occurs through an irreversible, covalent modification of their active site cysteine. Sortases specifically activate this class of molecules via beta-elimination, generating a reactive olefin intermediate that covalently modifies the cysteine thiol. Analysis of the three-dimensional structure of Bacillus anthracis sortase B with and without inhibitor provides insights into the mechanism of inhibition and reveals binding pockets that can be exploited for drug discovery.

About this Structure

2OQZ is a Single protein structure of sequence from Bacillus anthracis. Full crystallographic information is available from OCA.

Reference

Activation of inhibitors by sortase triggers irreversible modification of the active site., Maresso AW, Wu R, Kern JW, Zhang R, Janik D, Missiakas DM, Duban ME, Joachimiak A, Schneewind O, J Biol Chem. 2007 Aug 10;282(32):23129-39. Epub 2007 Jun 1. PMID:17545669 Page seeded by OCA on Sun May 4 11:29:20 2008

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OCA

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