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5i96

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==Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with AG-221 (Enasidenib) Inhibitor.==
==Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with AG-221 (Enasidenib) Inhibitor.==
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<StructureSection load='5i96' size='340' side='right' caption='[[5i96]], [[Resolution|resolution]] 1.55&Aring;' scene=''>
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<StructureSection load='5i96' size='340' side='right'caption='[[5i96]], [[Resolution|resolution]] 1.55&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[5i96]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5I96 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5I96 FirstGlance]. <br>
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<table><tr><td colspan='2'>[[5i96]] 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=5I96 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5I96 FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=69Q:2-METHYL-1-[(4-[6-(TRIFLUOROMETHYL)PYRIDIN-2-YL]-6-{[2-(TRIFLUOROMETHYL)PYRIDIN-4-YL]AMINO}-1,3,5-TRIAZIN-2-YL)AMINO]PROPAN-2-OL'>69Q</scene>, <scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</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]] 1.55&#8491;</td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[5i95|5i95]]</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=69Q:2-METHYL-1-[(4-[6-(TRIFLUOROMETHYL)PYRIDIN-2-YL]-6-{[2-(TRIFLUOROMETHYL)PYRIDIN-4-YL]AMINO}-1,3,5-TRIAZIN-2-YL)AMINO]PROPAN-2-OL'>69Q</scene>, <scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene></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/Isocitrate_dehydrogenase_(NADP(+)) Isocitrate dehydrogenase (NADP(+))], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.42 1.1.1.42] </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=5i96 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5i96 OCA], [https://pdbe.org/5i96 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5i96 RCSB], [https://www.ebi.ac.uk/pdbsum/5i96 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5i96 ProSAT]</span></td></tr>
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<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=5i96 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5i96 OCA], [http://pdbe.org/5i96 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5i96 RCSB], [http://www.ebi.ac.uk/pdbsum/5i96 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5i96 ProSAT]</span></td></tr>
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</table>
</table>
== Disease ==
== Disease ==
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[[http://www.uniprot.org/uniprot/IDHP_HUMAN IDHP_HUMAN]] D-2-hydroxyglutaric aciduria. Defects in IDH2 are the cause of D-2-hydroxyglutaric aciduria type 2 (D2HGA2) [MIM:[http://omim.org/entry/613657 613657]]. D2HGA2 is a neurometabolic disorder causing developmental delay, epilepsy, hypotonia, and dysmorphic features. Both a mild and a severe phenotype exist. The severe phenotype is homogeneous and is characterized by early infantile-onset epileptic encephalopathy and cardiomyopathy. The mild phenotype has a more variable clinical presentation. Diagnosis is based on the presence of an excess of D-2-hydroxyglutaric acid in the urine.<ref>PMID:20847235</ref>
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[https://www.uniprot.org/uniprot/IDHP_HUMAN IDHP_HUMAN] D-2-hydroxyglutaric aciduria. Defects in IDH2 are the cause of D-2-hydroxyglutaric aciduria type 2 (D2HGA2) [MIM:[https://omim.org/entry/613657 613657]. D2HGA2 is a neurometabolic disorder causing developmental delay, epilepsy, hypotonia, and dysmorphic features. Both a mild and a severe phenotype exist. The severe phenotype is homogeneous and is characterized by early infantile-onset epileptic encephalopathy and cardiomyopathy. The mild phenotype has a more variable clinical presentation. Diagnosis is based on the presence of an excess of D-2-hydroxyglutaric acid in the urine.<ref>PMID:20847235</ref>
== Function ==
== Function ==
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[[http://www.uniprot.org/uniprot/IDHP_HUMAN IDHP_HUMAN]] Plays a role in intermediary metabolism and energy production. It may tightly associate or interact with the pyruvate dehydrogenase complex.
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[https://www.uniprot.org/uniprot/IDHP_HUMAN IDHP_HUMAN] Plays a role in intermediary metabolism and energy production. It may tightly associate or interact with the pyruvate dehydrogenase complex.
<div style="background-color:#fffaf0;">
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
== Publication Abstract from PubMed ==
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</div>
</div>
<div class="pdbe-citations 5i96" style="background-color:#fffaf0;"></div>
<div class="pdbe-citations 5i96" style="background-color:#fffaf0;"></div>
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==See Also==
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*[[Isocitrate dehydrogenase 3D structures|Isocitrate dehydrogenase 3D structures]]
== References ==
== References ==
<references/>
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: DeLaBarre, B]]
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[[Category: Homo sapiens]]
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[[Category: Jiang, F]]
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[[Category: Large Structures]]
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[[Category: Jin, L]]
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[[Category: DeLaBarre B]]
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[[Category: Padyana, A K]]
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[[Category: Jiang F]]
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[[Category: Travins, J A]]
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[[Category: Jin L]]
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[[Category: Wei, W]]
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[[Category: Padyana AK]]
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[[Category: Zhang, B]]
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[[Category: Travins JA]]
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[[Category: Ag-221]]
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[[Category: Wei W]]
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[[Category: Enasidenib]]
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[[Category: Zhang B]]
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[[Category: Icd-m]]
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[[Category: Idh]]
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[[Category: Idh2]]
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[[Category: Idh2 ag-221]]
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[[Category: Oxidoreductase-oxidoreductase inhibitor complex]]
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Current revision

Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with AG-221 (Enasidenib) Inhibitor.

PDB ID 5i96

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