1pk0

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[[Image:1pk0.jpg|left|200px]]
[[Image:1pk0.jpg|left|200px]]
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{{Structure
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<!--
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|PDB= 1pk0 |SIZE=350|CAPTION= <scene name='initialview01'>1pk0</scene>, resolution 3.30&Aring;
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The line below this paragraph, containing "STRUCTURE_1pk0", 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=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=EMA:(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-DIPHOSPHATE'>EMA</scene>, <scene name='pdbligand=YB:YTTERBIUM+(III)+ION'>YB</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/Adenylate_cyclase Adenylate cyclase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.6.1.1 4.6.1.1] </span>
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or leave the SCENE parameter empty for the default display.
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|GENE= CYA OR PXO1-122 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1392 Bacillus anthracis]), (CALM1 OR CAM1 OR CALM OR CAM) ([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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|DOMAIN=
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{{STRUCTURE_1pk0| PDB=1pk0 | SCENE= }}
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|RELATEDENTRY=[[1lvc|1LVC]]
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1pk0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1pk0 OCA], [http://www.ebi.ac.uk/pdbsum/1pk0 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1pk0 RCSB]</span>
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}}
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'''Crystal Structure of the EF3-CaM complexed with PMEApp'''
'''Crystal Structure of the EF3-CaM complexed with PMEApp'''
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[[Category: Shen, Y.]]
[[Category: Shen, Y.]]
[[Category: Tang, W J.]]
[[Category: Tang, W J.]]
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[[Category: cam]]
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[[Category: Cam]]
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[[Category: edema factor]]
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[[Category: Edema factor]]
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[[Category: prodrug complex]]
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[[Category: Prodrug complex]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 05:10:33 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 23:00:43 2008''
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Revision as of 02:10, 3 May 2008

Image:1pk0.jpg

Template:STRUCTURE 1pk0

Crystal Structure of the EF3-CaM complexed with PMEApp


Overview

Edema factor (EF), a key virulence factor in anthrax pathogenesis, has calmodulin (CaM)-activated adenylyl cyclase activity. We have found that adefovir dipivoxil, a drug approved to treat chronic infection of hepatitis B virus, effectively inhibits EF-induced cAMP accumulation and changes in cytokine production in mouse primary macrophages. Adefovir diphosphate (PMEApp), the active cellular metabolite of adefovir dipivoxil, inhibits the adenylyl cyclase activity of EF in vitro with high affinity (K(i) = 27 nM). A crystal structure of EF-CaM-PMEApp reveals that the catalytic site of EF forms better van der Waals contacts and more hydrogen bonds with PMEApp than with its endogenous substrate, ATP, providing an explanation for the approximately 10,000-fold higher affinity EF-CaM has for PMEApp versus ATP. Adefovir dipivoxil is a clinically approved drug that can block the action of an anthrax toxin. It can be used to address the role of EF in anthrax pathogenesis.

About this Structure

1PK0 is a Protein complex structure of sequences from Bacillus anthracis and Homo sapiens. Full crystallographic information is available from OCA.

Reference

Selective inhibition of anthrax edema factor by adefovir, a drug for chronic hepatitis B virus infection., Shen Y, Zhukovskaya NL, Zimmer MI, Soelaiman S, Bergson P, Wang CR, Gibbs CS, Tang WJ, Proc Natl Acad Sci U S A. 2004 Mar 2;101(9):3242-7. Epub 2004 Feb 20. PMID:14978283 Page seeded by OCA on Sat May 3 05:10:33 2008

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OCA

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