4hu1

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{{STRUCTURE_4hu1| PDB=4hu1 | SCENE= }}
 
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===Crystal structure of human carbonic anhydrase isozyme XIII with the inhibitor.===
 
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{{ABSTRACT_PUBMED_23394791}}
 
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==Function==
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==Crystal structure of human carbonic anhydrase isozyme XIII with the inhibitor.==
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[[http://www.uniprot.org/uniprot/CAH13_HUMAN CAH13_HUMAN]] Reversible hydration of carbon dioxide.
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<StructureSection load='4hu1' size='340' side='right'caption='[[4hu1]], [[Resolution|resolution]] 1.95&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[4hu1]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4HU1 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4HU1 FirstGlance]. <br>
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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]] 1.95&#8491;</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=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene>, <scene name='pdbligand=V13:2,3,5,6-TETRAFLUORO-4-[(2-HYDROXYETHYL)SULFONYL]BENZENESULFONAMIDE'>V13</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></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=4hu1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4hu1 OCA], [https://pdbe.org/4hu1 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4hu1 RCSB], [https://www.ebi.ac.uk/pdbsum/4hu1 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4hu1 ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/CAH13_HUMAN CAH13_HUMAN] Reversible hydration of carbon dioxide.
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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A series of 4-substituted-2,3,5,6-tetrafluorobenezenesulfonamides were synthesized and their binding potencies as inhibitors of recombinant human carbonic anhydrase isozymes I, II, VII, XII, and XIII were determined by the thermal shift assay, isothermal titration calorimetry, and stop-flow CO2 hydration assay. All fluorinated benzenesulfonamides exhibited nanomolar binding potency toward tested CAs and fluorinated benzenesulfonamides posessed higher binding potency than non-fluorinated compounds. The crystal structures of 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide in complex with CA II and CA XII, and 2,3,5,6-tetrafluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide in complex with CA XIII were determined. The observed dissociation constants for several fluorinated compounds reached subnanomolar range for CA I isozyme. The affinity and the selectivity of the compounds towards tested isozymes are presented.
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==About this Structure==
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4-Substituted-2,3,5,6-tetrafluorobenzenesulfonamides as inhibitors of carbonic anhydrases I, II, VII, XII, and XIII.,Dudutiene V, Zubriene A, Smirnov A, Gylyte J, Timm D, Manakova E, Grazulis S, Matulis D Bioorg Med Chem. 2013 Apr 1;21(7):2093-106. doi: 10.1016/j.bmc.2013.01.008. Epub , 2013 Jan 16. PMID:23394791<ref>PMID:23394791</ref>
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[[4hu1]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4HU1 OCA].
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[[Category: Carbonate dehydratase]]
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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 4hu1" style="background-color:#fffaf0;"></div>
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==See Also==
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*[[Carbonic anhydrase 3D structures|Carbonic anhydrase 3D structures]]
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== References ==
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<references/>
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__TOC__
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</StructureSection>
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
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[[Category: Grazulis, S.]]
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[[Category: Large Structures]]
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[[Category: Manakova, E.]]
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[[Category: Grazulis S]]
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[[Category: Smirnov, A.]]
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[[Category: Manakova E]]
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[[Category: Benzenesulfonamide]]
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[[Category: Smirnov A]]
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[[Category: Carbon-oxygen lyase activity]]
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[[Category: Carbonate dehydratase activity]]
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[[Category: Carbonic anhydrase]]
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[[Category: Drug design]]
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[[Category: Lyase-lyase inhibitor complex]]
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[[Category: Metal-binding]]
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Current revision

Crystal structure of human carbonic anhydrase isozyme XIII with the inhibitor.

PDB ID 4hu1

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