3ro4
From Proteopedia
(Difference between revisions)
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| - | + | ==X-ray Structure of Ketohexokinase in complex with an indazole compound derivative== | |
| - | + | <StructureSection load='3ro4' size='340' side='right' caption='[[3ro4]], [[Resolution|resolution]] 2.60Å' scene=''> | |
| - | + | == Structural highlights == | |
| + | <table><tr><td colspan='2'>[[3ro4]] 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=3RO4 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3RO4 FirstGlance]. <br> | ||
| + | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=LJ9:3-ETHYL-6-[(3AR,6AS)-HEXAHYDROPYRROLO[3,4-C]PYRROL-2(1H)-YL]-1-PHENYL-1H-INDAZOLE'>LJ9</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr> | ||
| + | <tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3nbv|3nbv]], [[3nbw|3nbw]], [[3nc2|3nc2]], [[3nc9|3nc9]], [[3nca|3nca]]</td></tr> | ||
| + | <tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">KHK ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])</td></tr> | ||
| + | <tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Ketohexokinase Ketohexokinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.3 2.7.1.3] </span></td></tr> | ||
| + | <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=3ro4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3ro4 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3ro4 RCSB], [http://www.ebi.ac.uk/pdbsum/3ro4 PDBsum]</span></td></tr> | ||
| + | </table> | ||
| + | == Disease == | ||
| + | [[http://www.uniprot.org/uniprot/KHK_HUMAN KHK_HUMAN]] Defects in KHK are the cause of fructosuria (FRUCT) [MIM:[http://omim.org/entry/229800 229800]]. Benign defect of intermediary metabolism.<ref>PMID:19237742</ref> <ref>PMID:7833921</ref> | ||
| + | == Function == | ||
| - | == | + | <div style="background-color:#fffaf0;"> |
| - | + | == Publication Abstract from PubMed == | |
| + | A series of indazoles have been discovered as KHK inhibitors from a pyrazole hit identified through fragment-based drug discovery (FBDD). The optimization process guided by both X-ray crystallography and solution activity resulted in lead-like compounds with good pharmaceutical properties. | ||
| - | + | Optimization of a pyrazole hit from FBDD into a novel series of indazoles as ketohexokinase inhibitors.,Zhang X, Song F, Kuo GH, Xiang A, Gibbs AC, Abad MC, Sun W, Kuo LC, Sui Z Bioorg Med Chem Lett. 2011 Aug 15;21(16):4762-7. Epub 2011 Jun 29. PMID:21767952<ref>PMID:21767952</ref> | |
| - | + | ||
| + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | ||
| + | </div> | ||
==See Also== | ==See Also== | ||
*[[Ketohexokinase|Ketohexokinase]] | *[[Ketohexokinase|Ketohexokinase]] | ||
| - | + | == References == | |
| - | == | + | <references/> |
| - | + | __TOC__ | |
| + | </StructureSection> | ||
[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
[[Category: Ketohexokinase]] | [[Category: Ketohexokinase]] | ||
| - | [[Category: Abad, M C | + | [[Category: Abad, M C]] |
| - | [[Category: Gibbs, A C | + | [[Category: Gibbs, A C]] |
[[Category: Atp binding]] | [[Category: Atp binding]] | ||
[[Category: Kinase]] | [[Category: Kinase]] | ||
[[Category: Transferase-transferase inhibitor complex]] | [[Category: Transferase-transferase inhibitor complex]] | ||
Revision as of 10:43, 19 December 2014
X-ray Structure of Ketohexokinase in complex with an indazole compound derivative
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