4fxq

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==Full-length Certhrax toxin from Bacillus cereus in complex with Inhibitor P6==
==Full-length Certhrax toxin from Bacillus cereus in complex with Inhibitor P6==
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<StructureSection load='4fxq' size='340' side='right' caption='[[4fxq]], [[Resolution|resolution]] 1.96&Aring;' scene=''>
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<StructureSection load='4fxq' size='340' side='right'caption='[[4fxq]], [[Resolution|resolution]] 1.96&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[4fxq]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Atcc_14579 Atcc 14579]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4FXQ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4FXQ FirstGlance]. <br>
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<table><tr><td colspan='2'>[[4fxq]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Bacillus_cereus Bacillus cereus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4FXQ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4FXQ FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=G9L:8-FLUORO-2-(3-PIPERIDIN-1-YLPROPANOYL)-1,3,4,5-TETRAHYDROBENZO[C][1,6]NAPHTHYRIDIN-6(2H)-ONE'>G9L</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene></td></tr>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.9599&#8491;</td></tr>
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<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">Amino acids 18-471, BCE_G9241_pBC218_0027, pBC218_0027 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1396 ATCC 14579])</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=G9L:8-FLUORO-2-(3-PIPERIDIN-1-YLPROPANOYL)-1,3,4,5-TETRAHYDROBENZO[C][1,6]NAPHTHYRIDIN-6(2H)-ONE'>G9L</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4fxq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4fxq OCA], [http://pdbe.org/4fxq PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4fxq RCSB], [http://www.ebi.ac.uk/pdbsum/4fxq PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4fxq ProSAT]</span></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=4fxq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4fxq OCA], [https://pdbe.org/4fxq PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4fxq RCSB], [https://www.ebi.ac.uk/pdbsum/4fxq PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4fxq ProSAT]</span></td></tr>
</table>
</table>
== Function ==
== Function ==
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[[http://www.uniprot.org/uniprot/CRAX_BACCE CRAX_BACCE]] A probable mono(ADP-ribosyl)transferase; it is not known which residue is targeted for ADP-ribosylation. Upon expression in yeast cells causes cell death.<ref>PMID:21170356</ref>
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[https://www.uniprot.org/uniprot/CRAX_BACCE CRAX_BACCE] A probable mono(ADP-ribosyl)transferase; it is not known which residue is targeted for ADP-ribosylation. Upon expression in yeast cells causes cell death.<ref>PMID:21170356</ref>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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We identified Certhrax, the first anthrax-like mART toxin from the pathogenic G9241 strain of Bacillus cereus. Certhrax shares 31% sequence identity with anthrax lethal factor from Bacillus anthracis, however, we have shown that the toxicity of Certhrax resides in the mART domain, while anthrax uses a metalloprotease mechanism. Like anthrax lethal factor, Certhrax was found to require protective antigen for host cell entry. This two-domain enzyme was shown to be 60-fold more toxic to mammalian cells than anthrax lethal factor. Certhrax localizes to distinct regions within mouse RAW264.7 cells by 10 min post-infection and is extranuclear in its cellular location. Substitution of catalytic residues shows that the mART function is responsible for the toxicity, and it binds NAD+ with high affinity (KD = 52.3 +/- 12.2 muM). We report the 2.2 A Certhrax structure, highlighting its structural similarities and differences with anthrax lethal factor. We also determined the crystal structures of two good inhibitors (P6, KD = 1.7 +/- 0.2 muM, Ki = 1.8 +/- 0.4 muM; and PJ34, KD = 5.8 +/- 2.6 muM, Ki = 9.6 +/- 0.3 muM) in complex with Certhrax. As with other toxins in this family, the phosphate-nicotinamide loop moves toward the NAD+ binding site with bound inhibitor. These results indicate that Certhrax may be important in the pathogenesis of B. cereus.
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Certhrax toxin, an Anthrax-related ADP-ribosyltransferase from Bacillus cereus.,Visschedyk D, Rochon A, Tempel W, Dimov S, Park HW, Merrill AR J Biol Chem. 2012 Sep 19. PMID:22992735<ref>PMID:22992735</ref>
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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<div class="pdbe-citations 4fxq" style="background-color:#fffaf0;"></div>
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== References ==
== References ==
<references/>
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Atcc 14579]]
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[[Category: Bacillus cereus]]
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[[Category: Dimov, S]]
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[[Category: Large Structures]]
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[[Category: Kimber, M S]]
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[[Category: Dimov S]]
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[[Category: Merrill, A R]]
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[[Category: Kimber MS]]
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[[Category: Park, H W]]
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[[Category: Merrill AR]]
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[[Category: Visschedyk, D D]]
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[[Category: Park HW]]
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[[Category: Bacterial toxin]]
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[[Category: Visschedyk DD]]
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[[Category: Mixed alpha/beta]]
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[[Category: Mono-adp-ribosyltransferase]]
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[[Category: Toxin]]
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[[Category: Transferase-transferase inhibitor complex]]
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Current revision

Full-length Certhrax toxin from Bacillus cereus in complex with Inhibitor P6

PDB ID 4fxq

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