3u2o
From Proteopedia
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| - | + | ==Dihydroorotate Dehydrogenase (DHODH) crystal structure in complex with small molecule inhibitor== | |
| - | + | <StructureSection load='3u2o' size='340' side='right' caption='[[3u2o]], [[Resolution|resolution]] 2.18Å' scene=''> | |
| - | { | + | == Structural highlights == |
| + | <table><tr><td colspan='2'>[[3u2o]] is a 1 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=3U2O OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3U2O FirstGlance]. <br> | ||
| + | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=03U:METHYL+4-{[(2Z)-2-CYANO-3-HYDROXYPENT-2-ENOYL]AMINO}-4-FLUOROBIPHENYL-2-CARBOXYLATE'>03U</scene>, <scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=FMN:FLAVIN+MONONUCLEOTIDE'>FMN</scene>, <scene name='pdbligand=ORO:OROTIC+ACID'>ORO</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr> | ||
| + | <tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">DHODH ([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/Dihydroorotate_dehydrogenase Dihydroorotate dehydrogenase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.3.5.2 1.3.5.2] </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=3u2o FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3u2o OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3u2o RCSB], [http://www.ebi.ac.uk/pdbsum/3u2o PDBsum]</span></td></tr> | ||
| + | </table> | ||
| + | == Disease == | ||
| + | [[http://www.uniprot.org/uniprot/PYRD_HUMAN PYRD_HUMAN]] Defects in DHODH are the cause of postaxial acrofacial dysostosis (POADS) [MIM:[http://omim.org/entry/263750 263750]]; also known as Miller syndrome. POADS is characterized by severe micrognathia, cleft lip and/or palate, hypoplasia or aplasia of the posterior elements of the limbs, coloboma of the eyelids and supernumerary nipples. POADS is a very rare disorder: only 2 multiplex families, each consisting of 2 affected siblings born to unaffected, nonconsanguineous parents, have been described among a total of around 30 reported cases.<ref>PMID:19915526</ref> | ||
| + | == Function == | ||
| + | [[http://www.uniprot.org/uniprot/PYRD_HUMAN PYRD_HUMAN]] Catalyzes the conversion of dihydroorotate to orotate with quinone as electron acceptor. | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | The structure-activity relationships of a novel series of biaryl dihydroorotate dehydrogenase (DHODH) inhibitors related to teriflunomide are disclosed. These biaryl derivatives were the result of structure-based design and proved to be potent DHODH inhibitors which in addition showed good antiproliferative activities on peripheral blood mononuclear cells and good efficacies in vivo in the rat adjuvant-induced-arthritis model. | ||
| - | + | Biaryl analogues of teriflunomide as potent DHODH inhibitors.,Erra M, Moreno I, Sanahuja J, Andres M, Reinoso RF, Lozoya E, Pizcueta P, Godessart N, Castro-Palomino JC Bioorg Med Chem Lett. 2011 Dec 15;21(24):7268-72. Epub 2011 Oct 20. PMID:22078215<ref>PMID:22078215</ref> | |
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| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | + | </div> | |
| - | == | + | ==See Also== |
| - | <references | + | *[[Dihydroorotate dehydrogenase|Dihydroorotate dehydrogenase]] |
| + | == References == | ||
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
[[Category: Dihydroorotate dehydrogenase]] | [[Category: Dihydroorotate dehydrogenase]] | ||
[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
| - | [[Category: Blaesse, M | + | [[Category: Blaesse, M]] |
| - | [[Category: Erra, M | + | [[Category: Erra, M]] |
| - | [[Category: Jestel, A | + | [[Category: Jestel, A]] |
| - | [[Category: Krapp, S | + | [[Category: Krapp, S]] |
| - | [[Category: Lozoya, E | + | [[Category: Lozoya, E]] |
| - | [[Category: Segarra, V | + | [[Category: Segarra, V]] |
| - | [[Category: Wenzkowski, C | + | [[Category: Wenzkowski, C]] |
[[Category: Dehydrogenase]] | [[Category: Dehydrogenase]] | ||
[[Category: Dhodh]] | [[Category: Dhodh]] | ||
[[Category: Oxidoreductase-oxidoreductase inhibitor complex]] | [[Category: Oxidoreductase-oxidoreductase inhibitor complex]] | ||
Revision as of 06:46, 21 December 2014
Dihydroorotate Dehydrogenase (DHODH) crystal structure in complex with small molecule inhibitor
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