View source for 6mqd


==Myotoxin II from Bothrops moojeni complexed with Rosmarinic Acid==
<StructureSection load='6mqd' size='340' side='right'caption='[[6mqd]], [[Resolution|resolution]] 1.60&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[6mqd]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Bothrops_moojeni Bothrops moojeni]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6MQD OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6MQD FirstGlance]. <br>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.6&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ROA:(2R)-3-(3,4-DIHYDROXYPHENYL)-2-{[(2E)-3-(3,4-DIHYDROXYPHENYL)PROP-2-ENOYL]OXY}PROPANOIC+ACID'>ROA</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=6mqd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6mqd OCA], [https://pdbe.org/6mqd PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6mqd RCSB], [https://www.ebi.ac.uk/pdbsum/6mqd PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6mqd ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/PA2H2_BOTMO PA2H2_BOTMO] Snake venom phospholipase A2 homolog that lack enzymatic activity. Displays myotoxin and edema-inducing activities.
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
Ophidian accidents are considered an important neglected tropical disease by the World Health Organization. Particularly in Latin America, Bothrops snakes are responsible for the majority of the snakebite envenomings that are not efficiently treated by conventional serum therapy. Thus, the search for simple and efficient inhibitors to complement this therapy is a promising research area, and a combination of functional and structural assays have been used to test candidate ligands against specific ophidian venom compounds. Herein, we tested a commercial drug (acetylsalicylic acid, ASA) and a plant compound with antiophidian properties (rosmarinic acid, RA) using myographic, crystallographic and bioinformatics experiments with a phospholipase A2-like toxin, MjTX-II. MjTX-II/RA and MjTX-II/ASA crystal structures were solved at high resolution and revealed the presence of ligands bound to different regions of the toxin. However, in vitro myographic assays showed that only RA is able to prevent the myotoxic effects of MjTX-II. In agreement with functional results, molecular dynamics simulations showed that the RA molecule remains tightly bound to the toxin throughout the calculations, whereas ASA molecules tend to dissociate. This approach aids the design of effective inhibitors of PLA2-like toxins and, eventually, may complement serum therapy.

Search for efficient inhibitors of myotoxic activity induced by ophidian phospholipase A2-like proteins using functional, structural and bioinformatics approaches.,Salvador GHM, Cardoso FF, Gomes AA, Cavalcante WLG, Gallacci M, Fontes MRM Sci Rep. 2019 Jan 24;9(1):510. doi: 10.1038/s41598-018-36839-6. PMID:30679550<ref>PMID:30679550</ref>

From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 6mqd" style="background-color:#fffaf0;"></div>

==See Also==
*[[Phospholipase A2 homolog|Phospholipase A2 homolog]]
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Bothrops moojeni]]
[[Category: Large Structures]]
[[Category: Fontes MRM]]
[[Category: Salvador GHM]]