3u2o

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<StructureSection load='3u2o' size='340' side='right'caption='[[3u2o]], [[Resolution|resolution]] 2.18&Aring;' scene=''>
<StructureSection load='3u2o' size='340' side='right'caption='[[3u2o]], [[Resolution|resolution]] 2.18&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[3u2o]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Human Human]. 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 [https://proteopedia.org/fgij/fg.htm?mol=3U2O FirstGlance]. <br>
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<table><tr><td colspan='2'>[[3u2o]] is a 1 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=3U2O OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3U2O 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=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>
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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]] 2.18&#8491;</td></tr>
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<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">DHODH ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</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=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>
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<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Dihydroorotate_dehydrogenase_(quinone) Dihydroorotate dehydrogenase (quinone)], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.3.5.2 1.3.5.2] </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=3u2o FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3u2o OCA], [https://pdbe.org/3u2o PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3u2o RCSB], [https://www.ebi.ac.uk/pdbsum/3u2o PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3u2o ProSAT]</span></td></tr>
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=3u2o FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3u2o OCA], [https://pdbe.org/3u2o PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3u2o RCSB], [https://www.ebi.ac.uk/pdbsum/3u2o PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3u2o ProSAT]</span></td></tr>
</table>
</table>
== Disease ==
== Disease ==
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[[https://www.uniprot.org/uniprot/PYRD_HUMAN PYRD_HUMAN]] Defects in DHODH are the cause of postaxial acrofacial dysostosis (POADS) [MIM:[https://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>
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[https://www.uniprot.org/uniprot/PYRD_HUMAN PYRD_HUMAN] Defects in DHODH are the cause of postaxial acrofacial dysostosis (POADS) [MIM:[https://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 ==
== Function ==
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[[https://www.uniprot.org/uniprot/PYRD_HUMAN PYRD_HUMAN]] Catalyzes the conversion of dihydroorotate to orotate with quinone as electron acceptor.
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[https://www.uniprot.org/uniprot/PYRD_HUMAN PYRD_HUMAN] Catalyzes the conversion of dihydroorotate to orotate with quinone as electron acceptor.
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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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.
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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&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 3u2o" style="background-color:#fffaf0;"></div>
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==See Also==
==See Also==
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__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Human]]
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[[Category: Homo sapiens]]
[[Category: Large Structures]]
[[Category: Large Structures]]
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[[Category: Blaesse, M]]
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[[Category: Blaesse M]]
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[[Category: Erra, M]]
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[[Category: Erra M]]
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[[Category: Jestel, A]]
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[[Category: Jestel A]]
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[[Category: Krapp, S]]
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[[Category: Krapp S]]
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[[Category: Lozoya, E]]
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[[Category: Lozoya E]]
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[[Category: Segarra, V]]
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[[Category: Segarra V]]
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[[Category: Wenzkowski, C]]
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[[Category: Wenzkowski C]]
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[[Category: Dehydrogenase]]
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[[Category: Dhodh]]
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[[Category: Oxidoreductase-oxidoreductase inhibitor complex]]
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Current revision

Dihydroorotate Dehydrogenase (DHODH) crystal structure in complex with small molecule inhibitor

PDB ID 3u2o

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Proteopedia Page Contributors and Editors (what is this?)

OCA

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