7tbd

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<StructureSection load='7tbd' size='340' side='right'caption='[[7tbd]], [[Resolution|resolution]] 2.22&Aring;' scene=''>
<StructureSection load='7tbd' size='340' side='right'caption='[[7tbd]], [[Resolution|resolution]] 2.22&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[7tbd]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7TBD OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7TBD FirstGlance]. <br>
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<table><tr><td colspan='2'>[[7tbd]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Plasmodium_vivax Plasmodium vivax]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7TBD OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7TBD FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BMA:BETA-D-MANNOSE'>BMA</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=I0L:(4R)-4-[(2E)-4,4-diethyl-2-imino-6-oxo-1,3-diazinan-1-yl]-N-[(4S)-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-6-carboxamide'>I0L</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene></td></tr>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BMA:BETA-D-MANNOSE'>BMA</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=I0L:(4R)-4-[(2E)-4,4-diethyl-2-imino-6-oxo-1,3-diazinan-1-yl]-N-[(4S)-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-6-carboxamide'>I0L</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene></td></tr>
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<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Pepsin_A Pepsin A], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.23.1 3.4.23.1] </span></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=7tbd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7tbd OCA], [https://pdbe.org/7tbd PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7tbd RCSB], [https://www.ebi.ac.uk/pdbsum/7tbd PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7tbd ProSAT]</span></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=7tbd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7tbd OCA], [https://pdbe.org/7tbd PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7tbd RCSB], [https://www.ebi.ac.uk/pdbsum/7tbd PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7tbd ProSAT]</span></td></tr>
</table>
</table>
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<div style="background-color:#fffaf0;">
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== Function ==
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== Publication Abstract from PubMed ==
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[[https://www.uniprot.org/uniprot/A0A1G4H6I9_PLAVI A0A1G4H6I9_PLAVI]]
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Plasmepsins IX (PMIX) and X (PMX) are essential aspartyl proteases for Plasmodium spp. egress, invasion, and development. WM4 and WM382 inhibit PMIX and PMX in Plasmodium falciparum and P. vivax. WM4 inhibits PMX, while WM382 is a dual inhibitor of PMIX and PMX. To understand their function, we identified protein substrates. Enzyme kinetic and structural analyses identified interactions responsible for drug specificity. PMIX and PMX have similar substrate specificity; however, there are distinct differences for peptide and protein substrates. Differences in WM4 and WM382 binding for PMIX and PMX map to variations in the S' region and engagement of the active site S3 pocket. Structures of PMX reveal interactions and mechanistic detail of drug binding important for development of clinical candidates against these targets.
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Basis for drug selectivity of plasmepsin IX and X inhibition in Plasmodium falciparum and vivax.,Hodder AN, Christensen J, Scally S, Triglia T, Ngo A, Birkinshaw RW, Bailey B, Favuzza P, Dietrich MH, Tham WH, Czabotar PE, Lowes K, Guo Z, Murgolo N, Lera Ruiz M, McCauley JA, Sleebs BE, Olsen D, Cowman AF Structure. 2022 Apr 11. pii: S0969-2126(22)00099-5. doi:, 10.1016/j.str.2022.03.018. PMID:35460613<ref>PMID:35460613</ref>
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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<div class="pdbe-citations 7tbd" style="background-color:#fffaf0;"></div>
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== References ==
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<references/>
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__TOC__
__TOC__
</StructureSection>
</StructureSection>
[[Category: Large Structures]]
[[Category: Large Structures]]
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[[Category: Pepsin A]]
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[[Category: Plasmodium vivax]]
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[[Category: Christensen, J B]]
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[[Category: Christensen JB]]
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[[Category: Cowman, A F]]
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[[Category: Cowman AF]]
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[[Category: Hodder, A N]]
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[[Category: Hodder AN]]
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[[Category: Scally, S W]]
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[[Category: Scally SW]]
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[[Category: Aspartyl protease]]
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[[Category: Hydrolase]]
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Revision as of 05:28, 8 September 2022

Crystal structure of Plasmepsin X from Plasmodium vivax in complex with WM382

PDB ID 7tbd

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