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1mkv

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(New page: 200px<br /><applet load="1mkv" size="450" color="white" frame="true" align="right" spinBox="true" caption="1mkv, resolution 1.89&Aring;" /> '''CARBOXYLIC ESTER HYD...)
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[[Image:1mkv.gif|left|200px]]<br /><applet load="1mkv" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="1mkv, resolution 1.89&Aring;" />
 
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'''CARBOXYLIC ESTER HYDROLASE COMPLEX (PLA2 + TRANSITION STATE ANALOG COMPLEX)'''<br />
 
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==Overview==
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==CARBOXYLIC ESTER HYDROLASE COMPLEX (PLA2 + TRANSITION STATE ANALOG COMPLEX)==
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The 1.89 A resolution structure of the complex of bovine pancreatic, phospholipase A2 (PLA2) with the transition-state analogue, L-1-O-octyl-2-heptylphosphonyl-sn-glycero-3-phosphoethanolamine (TSA) has, been determined. The crystal of the complex is trigonal, space group, P3121, a = b = 46.58 and c = 102.91 A and isomorphous to the native, recombinant wild type (WT). The structure was refined to a final, crystallographic R value of 18.0% including 957 protein atoms, 88 water, molecules, one calcium ion and all 31 non-H atoms of the inhibitor at 1.89, A resolution. In all, 7 726 reflections [F&gt;2sigma(F)] were used between, 8.0 and 1.89 A resolution. The inhibitor is deeply locked into the, active-site cleft and coordinates to the calcium ion by displacing the two, water molecules in the calcium pentagonal bipyramid by the anionic O atoms, of the phosphate and phosphonate group. The hydroxyl group of Tyr69, hydrogen bonds to the second anionic O atom of the phosphate group while, that of the phosphonate group replaces the third water, 'catalytic' water, which forms a hydrogen bond to Ndelta1 of His48. The fourth water which, also shares Ndelta1 of His48 is displaced by the steric hinderance of the, inhibitor. The fifth conserved structural water is still present in the, active site and forms a network of hydrogen bonds with the surrounding, residues. The structure is compared to the other known TSA-PLA2 complexes.
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<StructureSection load='1mkv' size='340' side='right'caption='[[1mkv]], [[Resolution|resolution]] 1.89&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1mkv]] 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=1MKV OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1MKV 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]] 1.89&#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=GEL:1-O-OCTYL-2-HEPTYLPHOSPHONYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE'>GEL</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=1mkv FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1mkv OCA], [https://pdbe.org/1mkv PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1mkv RCSB], [https://www.ebi.ac.uk/pdbsum/1mkv PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1mkv ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/PA21B_BOVIN PA21B_BOVIN] 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/mk/1mkv_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=1mkv 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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1MKV 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 and GEL 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=1MKV 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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Structure of the complex of bovine pancreatic phospholipase A2 with a transition-state analogue., Sekar K, Kumar A, Liu X, Tsai MD, Gelb MH, Sundaralingam M, Acta Crystallogr D Biol Crystallogr. 1998 May 1;54(Pt 3):334-41. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=9761900 9761900]
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[[Category: Bos taurus]]
[[Category: Bos taurus]]
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[[Category: Phospholipase A(2)]]
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[[Category: Large Structures]]
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[[Category: Single protein]]
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[[Category: Sundaralingam M]]
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[[Category: Sundaralingam, M.]]
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[[Category: CA]]
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[[Category: GEL]]
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[[Category: carboxylic ester hydrolase]]
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[[Category: enzyme]]
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[[Category: hydrolase]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Nov 20 21:29:11 2007''
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Current revision

CARBOXYLIC ESTER HYDROLASE COMPLEX (PLA2 + TRANSITION STATE ANALOG COMPLEX)

PDB ID 1mkv

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