6b83: Difference between revisions

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-'''Unreleased structure'''
-The entry 6b83 is ON HOLD  until Paper Publication
+==Crystal structure of Myotoxin II from Bothrops moojeni complexed to Caproic acid==
+<StructureSection load='6b83' size='340' side='right' caption='[[6b83]], [[Resolution|resolution]] 1.70&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[6b83]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Bothrops_moojeni Bothrops moojeni]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6B83 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6B83 FirstGlance]. <br>
+</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=6NA:HEXANOIC+ACID'>6NA</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
+<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4kf3|4kf3]], [[4yv5|4yv5]]</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=6b83 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6b83 OCA], [http://pdbe.org/6b83 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6b83 RCSB], [http://www.ebi.ac.uk/pdbsum/6b83 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6b83 ProSAT]</span></td></tr>
+</table>
+== Function ==
+[[http://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 ==
+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.
-Authors: Salvador, G.H.M., dos Santos, J.I., Fontes, M.R.M.
+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>
-Description: Crystal structure of Myotoxin II from Bothrops moojeni complexed to Caproic acid
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-[[Category: Unreleased Structures]]
+</div>
-[[Category: Dos Santos, J.I]]
+<div class="pdbe-citations 6b83" style="background-color:#fffaf0;"></div>
-[[Category: Salvador, G.H.M]]
+== References ==
-[[Category: Fontes, M.R.M]]
+<references/>
+__TOC__
+</StructureSection>
+[[Category: Bothrops moojeni]]
+[[Category: Fontes, M R.M]]
+[[Category: Salvador, G H.M]]
+[[Category: Santos, J I.dos]]
+[[Category: Myotoxin ii]]
+[[Category: Phospholipase a2-like]]
+[[Category: Toxin]]