View source for 6b81


==Crystal structure of Myotoxin II from Bothrops moojeni complexed to Caprylic acid==
<StructureSection load='6b81' size='340' side='right'caption='[[6b81]], [[Resolution|resolution]] 1.76&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[6b81]] 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=6B81 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6B81 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]] 1.76&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=OCA:OCTANOIC+ACID+(CAPRYLIC+ACID)'>OCA</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=6b81 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6b81 OCA], [https://pdbe.org/6b81 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6b81 RCSB], [https://www.ebi.ac.uk/pdbsum/6b81 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6b81 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.
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== Publication Abstract from PubMed ==
The myotoxic mechanism for PLA2-like toxins has been proposed recently to be initiated by an allosteric change induced by a fatty acid binding to the protein, leading to the alignment of the membrane docking site (MDoS) and membrane disrupting site (MDiS). Previous structural studies performed by us demonstrated that MjTX-II, a PLA2-like toxin isolated from Bothrops moojeni, presents a different mode of ligand-interaction caused by natural amino acid substitutions and an insertion. Herein, we present four crystal structures of MjTX-II, in its apo state and complexed with fatty acids of different lengths. Analyses of these structures revealed slightly different oligomeric conformations but with both MDoSs in an arrangement that resembles an active-state PLA2-like structure. To explore the structural transitions between apo protein and fatty-acid complexes, we performed Normal Mode Molecular Dynamics simulations, revealing that oligomeric conformations of MjTX-II/fatty acid complexes may be reached in solution by the apo structure. Similar simulations with typical PLA2-like structures demonstrated that this transition is not possible without the presence of fatty acids. Thus, we hypothesize that MjTX-II does not require fatty acids to be active, although these ligands may eventually help in its stabilization by the formation of hydrogen bonds. Therefore, these results complement previous findings for MjTX-II and help us understand its particular ligand-binding properties and, more importantly, its particular mechanism of action, with a possible impact on the design of structure-based inhibitors for PLA2-like toxins in general.

Structural evidence for a fatty acid-independent myotoxic mechanism for a phospholipase A2-like toxin.,Salvador GHM, Dos Santos JI, Borges RJ, Fontes MRM Biochim Biophys Acta Proteins Proteom. 2018 Mar;1866(3):473-481. doi:, 10.1016/j.bbapap.2017.12.008. Epub 2017 Dec 27. PMID:29287778<ref>PMID:29287778</ref>

From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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<div class="pdbe-citations 6b81" 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]]
[[Category: Dos Santos JI]]