4r68

From Proteopedia

(Difference between revisions)

Revision as of 23:25, 4 August 2016

Lactate Dehydrogenase in complex with inhibitor compound 31

Structural highlights

4r68 is a 4 chain structure. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Ligands:	, , ,
Related:	4r69
Activity:	L-lactate dehydrogenase, with EC number 1.1.1.27
Resources:	FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Disease

[LDHA_HUMAN] Defects in LDHA are the cause of glycogen storage disease type 11 (GSD11) [MIM:612933]. A metabolic disorder that results in exertional myoglobinuria, pain, cramps and easy fatigue.^[1]

Publication Abstract from PubMed

Optimization of 5-(2,6-dichlorophenyl)-3-hydroxy-2-mercaptocyclohex-2-enone using structure-based design strategies resulted in inhibitors with considerable improvement in biochemical potency against human lactate dehydrogenase A (LDHA). These potent inhibitors were typically selective for LDHA over LDHB isoform (4-10 fold) and other structurally related malate dehydrogenases, MDH1 and MDH2 (>500 fold). An X-ray crystal structure of enzymatically most potent molecule bound to LDHA revealed two additional interactions associated with enhanced biochemical potency.

Optimization of 5-(2,6-dichlorophenyl)-3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase.,Labadie S, Dragovich PS, Chen J, Fauber BP, Boggs J, Corson LB, Ding CZ, Eigenbrot C, Ge H, Ho Q, Lai KW, Ma S, Malek S, Peterson D, Purkey HE, Robarge K, Salphati L, Sideris S, Ultsch M, VanderPorten E, Wei B, Xu Q, Yen I, Yue Q, Zhang H, Zhang X, Zhou A Bioorg Med Chem Lett. 2014 Nov 10;25(1):75-82. doi: 10.1016/j.bmcl.2014.11.008. PMID:25466195^[2]

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

References

↑ Maekawa M, Sudo K, Kanno T, Li SS. Molecular characterization of genetic mutation in human lactate dehydrogenase-A (M) deficiency. Biochem Biophys Res Commun. 1990 Apr 30;168(2):677-82. PMID:2334430
↑ Labadie S, Dragovich PS, Chen J, Fauber BP, Boggs J, Corson LB, Ding CZ, Eigenbrot C, Ge H, Ho Q, Lai KW, Ma S, Malek S, Peterson D, Purkey HE, Robarge K, Salphati L, Sideris S, Ultsch M, VanderPorten E, Wei B, Xu Q, Yen I, Yue Q, Zhang H, Zhang X, Zhou A. Optimization of 5-(2,6-dichlorophenyl)-3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase. Bioorg Med Chem Lett. 2014 Nov 10;25(1):75-82. doi: 10.1016/j.bmcl.2014.11.008. PMID:25466195 doi:http://dx.doi.org/10.1016/j.bmcl.2014.11.008

1 Structural highlights
2 Disease
3 Publication Abstract from PubMed
4 References

Proteopedia Page Contributors and Editors (what is this?)

OCA

Retrieved from "http://52.214.119.220/wiki/index.php/4r68"

Categories: L-lactate dehydrogenase | Eigenbrot, C | Ultsch, M | Nicotinamide adenine dinucleaotide | Oxidoreductase

@@ Line 1: / Line 1: @@
 ==Lactate Dehydrogenase in complex with inhibitor compound 31==
 <StructureSection load='4r68' size='340' side='right' caption='[[4r68]], [[Resolution|resolution]] 2.11&Aring;' scene=''>
@@ Line 6: / Line 7: @@
 <tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4r69|4r69]]</td></tr>
 <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>
-<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=4r68 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4r68 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4r68 RCSB], [http://www.ebi.ac.uk/pdbsum/4r68 PDBsum]</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=4r68 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4r68 OCA], [http://pdbe.org/4r68 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4r68 RCSB], [http://www.ebi.ac.uk/pdbsum/4r68 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4r68 ProSAT]</span></td></tr>
 </table>
 == Disease ==
@@ Line 18: / Line 19: @@
 From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
 </div>
+<div class="pdbe-citations 4r68" style="background-color:#fffaf0;"></div>
 == References ==
 <references/>

4r68

From Proteopedia

Revision as of 23:25, 4 August 2016

Lactate Dehydrogenase in complex with inhibitor compound 31

Structural highlights

Disease

Publication Abstract from PubMed

References

Contents

Proteopedia Page Contributors and Editors (what is this?)

Views

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