2xtk

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<StructureSection load='2xtk' size='340' side='right'caption='[[2xtk]], [[Resolution|resolution]] 2.00&Aring;' scene=''>
<StructureSection load='2xtk' size='340' side='right'caption='[[2xtk]], [[Resolution|resolution]] 2.00&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[2xtk]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Aspfc Aspfc]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2XTK OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=2XTK FirstGlance]. <br>
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<table><tr><td colspan='2'>[[2xtk]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Aspergillus_fumigatus_A1163 Aspergillus fumigatus A1163]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2XTK OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2XTK FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=AZM:5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE'>AZM</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</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&#8491;</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/Chitinase Chitinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.14 3.2.1.14] </span></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=AZM:5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE'>AZM</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=2xtk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2xtk OCA], [http://pdbe.org/2xtk PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2xtk RCSB], [http://www.ebi.ac.uk/pdbsum/2xtk PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2xtk 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=2xtk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2xtk OCA], [https://pdbe.org/2xtk PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2xtk RCSB], [https://www.ebi.ac.uk/pdbsum/2xtk PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2xtk ProSAT]</span></td></tr>
</table>
</table>
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<div style="background-color:#fffaf0;">
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== Function ==
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== Publication Abstract from PubMed ==
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[https://www.uniprot.org/uniprot/B0Y2Y2_ASPFC B0Y2Y2_ASPFC]
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Chitin is an essential structural component of the fungal cell wall. Chitinases are thought to be important for fungal cell wall remodelling, and inhibition of these enzymes has been proposed as a potential strategy for development of novel anti-fungals. The fungal pathogen Aspergillus fumigatus possesses two distinct multi-gene chitinase families. Here we explore acetazolamide as a chemical scaffold for the inhibition of an A. fumigatus 'plant-type' chitinase. A co-crystal structure of AfChiA1 with acetazolamide was used to guide synthesis and screening of acetazolamide analogues that yielded SAR in agreement with these structural data. Although acetazolamide and its analogues are weak inhibitors of the enzyme, they have a high ligand efficiency and as such are interesting leads for future inhibitor development.
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Acetazolamide-based fungal chitinase inhibitors.,Schuttelkopf AW, Gros L, Blair DE, Frearson JA, van Aalten DM, Gilbert IH Bioorg Med Chem. 2010 Dec 1;18(23):8334-40. Epub 2010 Oct 8. PMID:21044846<ref>PMID:21044846</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 2xtk" style="background-color:#fffaf0;"></div>
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==See Also==
==See Also==
*[[Chitinase 3D structures|Chitinase 3D structures]]
*[[Chitinase 3D structures|Chitinase 3D structures]]
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== References ==
 
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<references/>
 
__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Aspfc]]
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[[Category: Aspergillus fumigatus A1163]]
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[[Category: Chitinase]]
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[[Category: Large Structures]]
[[Category: Large Structures]]
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[[Category: Aalten, D M.F van]]
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[[Category: Schuettelkopf AW]]
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[[Category: Schuettelkopf, A W]]
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[[Category: Van Aalten DMF]]
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[[Category: Gh18]]
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[[Category: Hydrolase]]
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Current revision

ChiA1 from Aspergillus fumigatus in complex with acetazolamide

PDB ID 2xtk

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