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6d2j

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==Beta Carbonic anhydrase in complex with thiocyanate==
==Beta Carbonic anhydrase in complex with thiocyanate==
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<StructureSection load='6d2j' size='340' side='right' caption='[[6d2j]], [[Resolution|resolution]] 2.10&Aring;' scene=''>
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<StructureSection load='6d2j' size='340' side='right'caption='[[6d2j]], [[Resolution|resolution]] 2.10&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[6d2j]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/"bacillus_aeruginosus"_(schroeter_1872)_trevisan_1885 "bacillus aeruginosus" (schroeter 1872) trevisan 1885]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6D2J OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6D2J FirstGlance]. <br>
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<table><tr><td colspan='2'>[[6d2j]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Pseudomonas_aeruginosa Pseudomonas aeruginosa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6D2J OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6D2J 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=K:POTASSIUM+ION'>K</scene>, <scene name='pdbligand=SCN:THIOCYANATE+ION'>SCN</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</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]] 2.1&#8491;</td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[6d2m|6d2m]], [[6d2n|6d2n]], [[6d2o|6d2o]]</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=K:POTASSIUM+ION'>K</scene>, <scene name='pdbligand=SCN:THIOCYANATE+ION'>SCN</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
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<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Carbonate_dehydratase Carbonate dehydratase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.2.1.1 4.2.1.1] </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=6d2j FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6d2j OCA], [https://pdbe.org/6d2j PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6d2j RCSB], [https://www.ebi.ac.uk/pdbsum/6d2j PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6d2j ProSAT]</span></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=6d2j FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6d2j OCA], [http://pdbe.org/6d2j PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6d2j RCSB], [http://www.ebi.ac.uk/pdbsum/6d2j PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6d2j ProSAT]</span></td></tr>
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</table>
</table>
== Function ==
== Function ==
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[[http://www.uniprot.org/uniprot/A0A1G5JF57_ACIBA A0A1G5JF57_ACIBA]] Reversible hydration of carbon dioxide.[RuleBase:RU003956]
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[https://www.uniprot.org/uniprot/Q9HVB9_PSEAE Q9HVB9_PSEAE]
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Pseudomonas aeruginosa (P. aeruginosa) is a gram-negative facultative anaerobe belonging to the Pseudomonadaceae family. It is a multi-drug resistant opportunistic human pathogen and a common cause of life-threatening nosocomial infections, and is a key bacterial agent in cystic fibrosis and endocarditis diseases. The bacterium exhibits intrinsic resistance to most antibacterial agents, including aminoglycosides and quinolones. Hence, the identification of new drug targets for P. aeruginosa are ongoing. PsCA3 is a beta-class carbonic anhydrase (beta-CA) catalyzing the reversible hydration of carbon dioxide to bicarbonate and represents a new class of antimicrobial target. Previously, inhibitor-screening studies of psCA3 have shown a series of small anions including sulfamide (SFN), imidazole (IMD), and 4-methyl imidazole (4MI) and thiocyanate (SCN) inhibit the enzyme with efficiencies in the micro- to millimolar range. Here, the X-ray crystal structures of these inhibitors in complex with psCA3 are presented and compared to human CA II. This structural survey into the binding modes of small anions forms the foundation for the development of inhibitors against beta-CAs and more selective inhibitors against P. aeruginosa.
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Structural Mapping of Anion inhibitors to beta-Carbonic Anhydrase psCA3 from Pseudomonas aeruginosa.,Murray A, Aggarwal M, Pinard M, Vullo D, Patrauchan M, Supuran CT, McKenna R ChemMedChem. 2018 Aug 7. doi: 10.1002/cmdc.201800375. PMID:30088334<ref>PMID:30088334</ref>
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==See Also==
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*[[Carbonic anhydrase 3D structures|Carbonic anhydrase 3D structures]]
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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 6d2j" style="background-color:#fffaf0;"></div>
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== References ==
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<references/>
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__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Carbonate dehydratase]]
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[[Category: Large Structures]]
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[[Category: Aggarwal, M]]
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[[Category: Pseudomonas aeruginosa]]
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[[Category: McKenna, R]]
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[[Category: Aggarwal M]]
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[[Category: Murray, A]]
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[[Category: McKenna R]]
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[[Category: Pinard, M]]
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[[Category: Murray A]]
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[[Category: Beta ca]]
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[[Category: Pinard M]]
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[[Category: Carbonic anhydrase]]
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[[Category: Lyase]]
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[[Category: Thiocyanate]]
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Current revision

Beta Carbonic anhydrase in complex with thiocyanate

PDB ID 6d2j

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