4rls: Difference between revisions

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== Structural highlights ==
== Structural highlights ==
<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>
<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>
</td></tr><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>
</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>
<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>
<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>
<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>
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== Function ==
== Function ==
[https://www.uniprot.org/uniprot/LDHA_HUMAN LDHA_HUMAN]  
[https://www.uniprot.org/uniprot/LDHA_HUMAN LDHA_HUMAN]  
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
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).
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>
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 4rls" style="background-color:#fffaf0;"></div>


==See Also==
==See Also==

Latest revision as of 12:53, 1 March 2024

Lactate Dehydrogenase in complex with inhibitor compound 47

4rls, resolution 1.91Å

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