1lf2

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(New page: 200px<br /><applet load="1lf2" size="450" color="white" frame="true" align="right" spinBox="true" caption="1lf2, resolution 1.8&Aring;" /> '''CRYSTAL STRUCTURE OF ...)
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[[Image:1lf2.gif|left|200px]]<br /><applet load="1lf2" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="1lf2, resolution 1.8&Aring;" />
 
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'''CRYSTAL STRUCTURE OF PLASMEPSIN II FROM P FALCIPARUM IN COMPLEX WITH INHIBITOR RS370'''<br />
 
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==Overview==
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==CRYSTAL STRUCTURE OF PLASMEPSIN II FROM P FALCIPARUM IN COMPLEX WITH INHIBITOR RS370==
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Plasmepsin II is one of the four catalytically active plasmepsins found in, the food vacuole of Plasmodium falciparum. These enzymes initiate, hemoglobin degradation by cleavage at the alpha-chain between Phe33 and, Leu34. The crystal structures of Ser205 mutant plasmepsin II from P., falciparum in complex with two inhibitors have been refined at a, resolution of 1.8 A in the space group I222 and to R factors of 19.9 and, 19.5%. Each crystal contains one monomer in the asymmetric unit. Both, inhibitors have a Phe-Leu core and incorporate tetrahedral, transition-state mimetic hydroxypropylamine. The inhibitor rs367 possesses, a 2,6-dimethylphenyloxyacetyl group at the P2 position and, 3-aminobenzamide at the P2' position, while rs370 has the same P2 group, but 4-aminobenzamide in the P2' position. These complexes reveal key, conserved hydrogen bonds between the inhibitor and the binding-cavity, residues, notably with the flap residues Val78 and Ser79, the catalytic, dyad Asp34 and Asp214 and the residues Ser218 and Gly36 that are in, proximity to the catalytic dyad. The structures also show unexpected, conformational variability of the binding cavity of plasmepsin II and may, reflect the mode of binding of the hemoglobin alpha-chain for cleavage.
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<StructureSection load='1lf2' size='340' side='right'caption='[[1lf2]], [[Resolution|resolution]] 1.80&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1lf2]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Plasmodium_falciparum Plasmodium falciparum]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1LF2 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1LF2 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]] 1.8&#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=R37:3-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL-5-PHENYL-PENTYL}-BENZAMIDE'>R37</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=1lf2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1lf2 OCA], [https://pdbe.org/1lf2 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1lf2 RCSB], [https://www.ebi.ac.uk/pdbsum/1lf2 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1lf2 ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/PLM2_PLAFX PLM2_PLAFX] During the asexual blood stage, participates in initial cleavage of native host hemoglobin (Hb) resulting in Hb denaturation (PubMed:11782538, PubMed:15574427, PubMed:8844673). May cleave preferentially denatured hemoglobin that has been cleaved by PMI (PubMed:8844673). Digestion of host Hb is an essential step which provides the parasite with amino acids for protein synthesis, and regulates osmolarity (Probable).<ref>PMID:11782538</ref> <ref>PMID:15574427</ref> <ref>PMID:8844673</ref>
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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/lf/1lf2_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview03.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=1lf2 ConSurf].
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<div style="clear:both"></div>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Plasmepsin II is one of the four catalytically active plasmepsins found in the food vacuole of Plasmodium falciparum. These enzymes initiate hemoglobin degradation by cleavage at the alpha-chain between Phe33 and Leu34. The crystal structures of Ser205 mutant plasmepsin II from P. falciparum in complex with two inhibitors have been refined at a resolution of 1.8 A in the space group I222 and to R factors of 19.9 and 19.5%. Each crystal contains one monomer in the asymmetric unit. Both inhibitors have a Phe-Leu core and incorporate tetrahedral transition-state mimetic hydroxypropylamine. The inhibitor rs367 possesses a 2,6-dimethylphenyloxyacetyl group at the P2 position and 3-aminobenzamide at the P2' position, while rs370 has the same P2 group but 4-aminobenzamide in the P2' position. These complexes reveal key conserved hydrogen bonds between the inhibitor and the binding-cavity residues, notably with the flap residues Val78 and Ser79, the catalytic dyad Asp34 and Asp214 and the residues Ser218 and Gly36 that are in proximity to the catalytic dyad. The structures also show unexpected conformational variability of the binding cavity of plasmepsin II and may reflect the mode of binding of the hemoglobin alpha-chain for cleavage.
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==About this Structure==
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Structures of Ser205 mutant plasmepsin II from Plasmodium falciparum at 1.8 A in complex with the inhibitors rs367 and rs370.,Asojo OA, Afonina E, Gulnik SV, Yu B, Erickson JW, Randad R, Medjahed D, Silva AM Acta Crystallogr D Biol Crystallogr. 2002 Dec;58(Pt 12):2001-8. Epub 2002, Nov 23. PMID:12454457<ref>PMID:12454457</ref>
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1LF2 is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Plasmodium_falciparum Plasmodium falciparum] with R37 as [http://en.wikipedia.org/wiki/ligand ligand]. Active as [http://en.wikipedia.org/wiki/Plasmepsin_II Plasmepsin II], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.23.39 3.4.23.39] Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1LF2 OCA].
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==Reference==
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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Structures of Ser205 mutant plasmepsin II from Plasmodium falciparum at 1.8 A in complex with the inhibitors rs367 and rs370., Asojo OA, Afonina E, Gulnik SV, Yu B, Erickson JW, Randad R, Medjahed D, Silva AM, Acta Crystallogr D Biol Crystallogr. 2002 Dec;58(Pt 12):2001-8. Epub 2002, Nov 23. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=12454457 12454457]
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</div>
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[[Category: Plasmepsin II]]
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<div class="pdbe-citations 1lf2" style="background-color:#fffaf0;"></div>
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[[Category: Plasmodium falciparum]]
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[[Category: Single protein]]
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[[Category: Afonina, E.]]
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[[Category: Asojo, O.A.]]
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[[Category: Erickson, J.W.]]
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[[Category: Gulnik, S.V.]]
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[[Category: Mehadjed, D.]]
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[[Category: Randad, R.]]
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[[Category: Silva, A.M.]]
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[[Category: Yu, B.]]
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[[Category: R37]]
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[[Category: aspartic protease]]
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[[Category: plasmepsin]]
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[[Category: plasmodium falciparum]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Nov 20 20:31:41 2007''
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==See Also==
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*[[Plasmepsin|Plasmepsin]]
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== References ==
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<references/>
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__TOC__
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</StructureSection>
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[[Category: Large Structures]]
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[[Category: Plasmodium falciparum]]
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[[Category: Afonina E]]
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[[Category: Asojo OA]]
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[[Category: Erickson JW]]
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[[Category: Gulnik SV]]
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[[Category: Mehadjed D]]
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[[Category: Randad R]]
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[[Category: Silva AM]]
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[[Category: Yu B]]

Current revision

CRYSTAL STRUCTURE OF PLASMEPSIN II FROM P FALCIPARUM IN COMPLEX WITH INHIBITOR RS370

PDB ID 1lf2

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