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4rls

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==Lactate Dehydrogenase in complex with inhibitor compound 47==
==Lactate Dehydrogenase in complex with inhibitor compound 47==
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<StructureSection load='4rls' size='340' side='right' caption='[[4rls]], [[Resolution|resolution]] 1.91&Aring;' scene=''>
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<StructureSection load='4rls' size='340' side='right'caption='[[4rls]], [[Resolution|resolution]] 1.91&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[4rls]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4RLS OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4RLS FirstGlance]. <br>
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<table><tr><td colspan='2'>[[4rls]] is a 4 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=4RLS OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4RLS 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=2OP:(2S)-2-HYDROXYPROPANOIC+ACID'>2OP</scene>, <scene name='pdbligand=49C:(1R)-5-[(2-CHLOROPHENYL)SULFANYL]-4-HYDROXY-2,3-DIHYDROSPIRO[INDENE-1,2-PYRAN]-6(3H)-ONE'>49C</scene>, <scene name='pdbligand=NAI:1,4-DIHYDRONICOTINAMIDE+ADENINE+DINUCLEOTIDE'>NAI</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]] 1.91&#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/L-lactate_dehydrogenase L-lactate dehydrogenase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.27 1.1.1.27] </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=2OP:(2S)-2-HYDROXYPROPANOIC+ACID'>2OP</scene>, <scene name='pdbligand=49C:(1R)-5-[(2-CHLOROPHENYL)SULFANYL]-4-HYDROXY-2,3-DIHYDROSPIRO[INDENE-1,2-PYRAN]-6(3H)-ONE'>49C</scene>, <scene name='pdbligand=NAI:1,4-DIHYDRONICOTINAMIDE+ADENINE+DINUCLEOTIDE'>NAI</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></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=4rls FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4rls OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4rls RCSB], [http://www.ebi.ac.uk/pdbsum/4rls PDBsum]</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=4rls FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4rls OCA], [https://pdbe.org/4rls PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4rls RCSB], [https://www.ebi.ac.uk/pdbsum/4rls PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4rls ProSAT]</span></td></tr>
</table>
</table>
== Disease ==
== Disease ==
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[[http://www.uniprot.org/uniprot/LDHA_HUMAN LDHA_HUMAN]] Defects in LDHA are the cause of glycogen storage disease type 11 (GSD11) [MIM:[http://omim.org/entry/612933 612933]]. A metabolic disorder that results in exertional myoglobinuria, pain, cramps and easy fatigue.<ref>PMID:2334430</ref>
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[https://www.uniprot.org/uniprot/LDHA_HUMAN LDHA_HUMAN] Defects in LDHA are the cause of glycogen storage disease type 11 (GSD11) [MIM:[https://omim.org/entry/612933 612933]. A metabolic disorder that results in exertional myoglobinuria, pain, cramps and easy fatigue.<ref>PMID:2334430</ref>
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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/LDHA_HUMAN LDHA_HUMAN]
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A series of 3,6-disubstituted dihydropyrones were identified as inhibitors of human lactate dehydrogenase (LDH)-A. Structure activity relationships were explored and a series of 6,6-spiro analogs led to improvements in LDHA potency (IC50 &lt;350nM). An X-ray crystal structure of an improved compound bound to human LDHA was obtained and it illustrated additional opportunities to enhance the potency of these compounds, resulting in the identification of 51 (IC50=30nM).
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Identification of 3,6-disubstituted dihydropyrones as inhibitors of human lactate dehydrogenase.,Fauber BP, Dragovich PS, Chen J, Corson LB, Ding CZ, Eigenbrot C, Labadie S, Malek S, Peterson D, Purkey HE, Robarge K, Sideris S, Ultsch M, Wei B, Yen I, Yue Q, Zhou A Bioorg Med Chem Lett. 2014 Dec 15;24(24):5683-7. doi: 10.1016/j.bmcl.2014.10.067., Epub 2014 Oct 27. PMID:25467161<ref>PMID:25467161</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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==See Also==
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</div>
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*[[Lactate dehydrogenase 3D structures|Lactate dehydrogenase 3D structures]]
== References ==
== References ==
<references/>
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: L-lactate dehydrogenase]]
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[[Category: Homo sapiens]]
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[[Category: Eigenbrot, C]]
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[[Category: Large Structures]]
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[[Category: Ultsch, M H]]
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[[Category: Eigenbrot C]]
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[[Category: Oxidoreductase]]
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[[Category: Ultsch MH]]

Current revision

Lactate Dehydrogenase in complex with inhibitor compound 47

PDB ID 4rls

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