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New page: left|200px<br /><applet load="2b96" size="450" color="white" frame="true" align="right" spinBox="true" caption="2b96, resolution 1.70Å" /> '''Third Calcium ion fo...
 
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[[Image:2b96.gif|left|200px]]<br /><applet load="2b96" size="450" color="white" frame="true" align="right" spinBox="true"
caption="2b96, resolution 1.70&Aring;" />
'''Third Calcium ion found in an inhibitor bound phospholipase A2'''<br />


==Overview==
==Third Calcium ion found in an inhibitor bound phospholipase A2==
The lipolytic enzyme phospholipase A2 plays a crucial role in lipid, metabolism and catalyzes hydrolysis of the fatty-acid ester bond at the, sn-2 position of phospholipids. Here, the crystal structure (1.7 A, resolution) of the triple mutant (K53,56,121M) of bovine pancreatic, phospholipase A2 complexed with an organic molecule, p-methoxybenzoic acid, (anisic acid), is reported. Residues 60-70 (the surface-loop residues) are, ordered and adopt conformations which are different from those normally, found in structures in which a second calcium ion is present. It is, interesting to note that for the first time a third calcium ion has been, identified. In addition, four Tris, (2-amino-2-hydroxymethyl-1,3-propanediol) molecules were located. It is, believed that one of the Tris molecules plays a role in clamping the third, calcium ion and that another is involved in controlling the dynamics of, the surface loop through hydrogen bonds.
<StructureSection load='2b96' size='340' side='right'caption='[[2b96]], [[Resolution|resolution]] 1.70&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[2b96]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Bos_taurus Bos taurus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2B96 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2B96 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]] 1.7&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ANN:4-METHOXYBENZOIC+ACID'>ANN</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=TRS:2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL'>TRS</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=2b96 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2b96 OCA], [https://pdbe.org/2b96 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2b96 RCSB], [https://www.ebi.ac.uk/pdbsum/2b96 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2b96 ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/PA21B_BOVIN PA21B_BOVIN] PA2 catalyzes the calcium-dependent hydrolysis of the 2-acyl groups in 3-sn-phosphoglycerides.
== Evolutionary Conservation ==
[[Image:Consurf_key_small.gif|200px|right]]
Check<jmol>
  <jmolCheckbox>
    <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/b9/2b96_consurf.spt"</scriptWhenChecked>
    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview03.spt</scriptWhenUnchecked>
    <text>to colour the structure by Evolutionary Conservation</text>
  </jmolCheckbox>
</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=2b96 ConSurf].
<div style="clear:both"></div>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
The lipolytic enzyme phospholipase A2 plays a crucial role in lipid metabolism and catalyzes hydrolysis of the fatty-acid ester bond at the sn-2 position of phospholipids. Here, the crystal structure (1.7 A resolution) of the triple mutant (K53,56,121M) of bovine pancreatic phospholipase A2 complexed with an organic molecule, p-methoxybenzoic acid (anisic acid), is reported. Residues 60-70 (the surface-loop residues) are ordered and adopt conformations which are different from those normally found in structures in which a second calcium ion is present. It is interesting to note that for the first time a third calcium ion has been identified. In addition, four Tris (2-amino-2-hydroxymethyl-1,3-propanediol) molecules were located. It is believed that one of the Tris molecules plays a role in clamping the third calcium ion and that another is involved in controlling the dynamics of the surface loop through hydrogen bonds.


==About this Structure==
Third calcium ion found in an inhibitor-bound phospholipase A2.,Sekar K, Gayathri D, Velmurugan D, Jeyakanthan J, Yamane T, Poi MJ, Tsai MD Acta Crystallogr D Biol Crystallogr. 2006 Apr;62(Pt 4):392-7. Epub 2006, Mar 18. PMID:16552140<ref>PMID:16552140</ref>
2B96 is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Bos_taurus Bos taurus] with CA, CL, TRS and ANN as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Phospholipase_A(2) Phospholipase A(2)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.1.1.4 3.1.1.4] Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=2B96 OCA].


==Reference==
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
Third calcium ion found in an inhibitor-bound phospholipase A2., Sekar K, Gayathri D, Velmurugan D, Jeyakanthan J, Yamane T, Poi MJ, Tsai MD, Acta Crystallogr D Biol Crystallogr. 2006 Apr;62(Pt 4):392-7. Epub 2006, Mar 18. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=16552140 16552140]
</div>
<div class="pdbe-citations 2b96" style="background-color:#fffaf0;"></div>
 
==See Also==
*[[Phospholipase A2 3D structures|Phospholipase A2 3D structures]]
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Bos taurus]]
[[Category: Bos taurus]]
[[Category: Phospholipase A(2)]]
[[Category: Large Structures]]
[[Category: Single protein]]
[[Category: Sekar K]]
[[Category: Sekar, K.]]
[[Category: Tsai MD]]
[[Category: Tsai, M.D.]]
[[Category: Velmurugan D]]
[[Category: Velmurugan, D.]]
[[Category: Yamane T]]
[[Category: Yamane, T.]]
[[Category: ANN]]
[[Category: CA]]
[[Category: CL]]
[[Category: TRS]]
[[Category: alpha helix]]
[[Category: anisic acid]]
[[Category: beta sheet]]
[[Category: triple mutant]]
 
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Latest revision as of 07:52, 30 October 2024

Third Calcium ion found in an inhibitor bound phospholipase A2

2b96, resolution 1.70Å

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