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1fxf

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(New page: 200px<br /><applet load="1fxf" size="450" color="white" frame="true" align="right" spinBox="true" caption="1fxf, resolution 1.85&Aring;" /> '''CARBOXYLIC ESTER HYD...)
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[[Image:1fxf.gif|left|200px]]<br /><applet load="1fxf" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="1fxf, resolution 1.85&Aring;" />
 
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'''CARBOXYLIC ESTER HYDROLASE COMPLEX (DIMERIC PLA2 + MJ33 INHIBITOR + PHOSPHATE IONS)'''<br />
 
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==Overview==
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==CARBOXYLIC ESTER HYDROLASE COMPLEX (DIMERIC PLA2 + MJ33 INHIBITOR + PHOSPHATE IONS)==
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We report the structures of the crystallographic dimer of porcine, pancreatic IB phospholipase A(2) (PLA2) with either five sulfate or, phosphate anions bound. In each structure, one molecule of a tetrahedral, mimic MJ33 [1-hexadecyl-3-(trifluoroethyl)-sn-glycero-2-phosphomethanol], and the five anions are shared between the two subunits of the dimer. The, sn-2-phosphate of MJ33 is bound in the active site of one subunit (A), and, the alkyl chain extends into the active site slot of the second subunit, (B) across the subunit-subunit interface. The two subunits are packed, together with a large hydrophobic and desolvated surface buried between, them along with the five anions that define a plane. The anions bind by, direct contact with two cationic residues (R6 and K10) per subunit and, through closer-range H-bonding interactions with other polarizable, ligands. These features of the "dimer" suggest that the binding of PLA2 to, the anionic groups at the anionic interface may be dominated by, coordination through H-bonding with only a partial charge compensation, needed. Remarkably, the plane defined by the contact surface is similar to, the i-face of the enzyme [Ramirez, F., and Jain, M. K. (1991) Proteins:, Struct., Funct., Genet. 9, 229-239], which has been proposed to make, contact with the substrate interface for the interfacial catalytic, turnover. Additionally, these structures not only offer a view of the, active PLA2 complexed to an anionic interface but also provide insight, into the environment of the tetrahedral intermediate in the rate-limiting, chemical step of the turnover cycle. Taken together, our results offer an, atomic-resolution structural view of the i-face interactions of the active, form of PLA2 associated to an anionic interface.
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<StructureSection load='1fxf' size='340' side='right'caption='[[1fxf]], [[Resolution|resolution]] 1.85&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1fxf]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Sus_scrofa Sus scrofa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1FXF OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1FXF FirstGlance]. <br>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.85&#8491;</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=MJI:1-HEXADECYL-3-TRIFLUOROETHYL-SN-GLYCERO-2-PHOSPHATE+METHANE'>MJI</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1fxf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1fxf OCA], [https://pdbe.org/1fxf PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1fxf RCSB], [https://www.ebi.ac.uk/pdbsum/1fxf PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1fxf ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/PA21B_PIG PA21B_PIG] PA2 catalyzes the calcium-dependent hydrolysis of the 2-acyl groups in 3-sn-phosphoglycerides.
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== Evolutionary Conservation ==
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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<jmolCheckbox>
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/fx/1fxf_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
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<text>to colour the structure by Evolutionary Conservation</text>
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</jmolCheckbox>
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</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=1fxf ConSurf].
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<div style="clear:both"></div>
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==About this Structure==
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==See Also==
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1FXF is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Sus_scrofa Sus scrofa] with CA, PO4 and MJI 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=1FXF OCA].
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*[[Phospholipase A2 3D structures|Phospholipase A2 3D structures]]
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__TOC__
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==Reference==
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</StructureSection>
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Five coplanar anion binding sites on one face of phospholipase A2: relationship to interface binding., Pan YH, Epstein TM, Jain MK, Bahnson BJ, Biochemistry. 2001 Jan 23;40(3):609-17. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=11170377 11170377]
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[[Category: Large Structures]]
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[[Category: Phospholipase A(2)]]
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[[Category: Single protein]]
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[[Category: Sus scrofa]]
[[Category: Sus scrofa]]
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[[Category: Bahnson, B.J.]]
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[[Category: Bahnson BJ]]
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[[Category: Epstein, T.M.]]
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[[Category: Epstein TM]]
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[[Category: Jain, M.K.]]
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[[Category: Jain MK]]
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[[Category: Pan, Y.H.]]
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[[Category: Pan YH]]
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[[Category: CA]]
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[[Category: MJI]]
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[[Category: PO4]]
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[[Category: carboxylic ester hydrolase]]
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[[Category: dimer]]
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[[Category: enzyme]]
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[[Category: hydrolase]]
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[[Category: inhibitor binding]]
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[[Category: phosphate binding]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Nov 20 15:26:02 2007''
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Current revision

CARBOXYLIC ESTER HYDROLASE COMPLEX (DIMERIC PLA2 + MJ33 INHIBITOR + PHOSPHATE IONS)

PDB ID 1fxf

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