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| | <StructureSection load='4mgv' size='340' side='right'caption='[[4mgv]], [[Resolution|resolution]] 1.72Å' scene=''> | | <StructureSection load='4mgv' size='340' side='right'caption='[[4mgv]], [[Resolution|resolution]] 1.72Å' scene=''> |
| | == Structural highlights == | | == Structural highlights == |
| - | <table><tr><td colspan='2'>[[4mgv]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Plavs Plavs]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4MGV OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4MGV FirstGlance]. <br> | + | <table><tr><td colspan='2'>[[4mgv]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Plasmodium_vivax_Sal-1 Plasmodium vivax Sal-1]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4MGV OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4MGV FirstGlance]. <br> |
| - | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=D5I:N-(1-ADAMANTYLCARBONYL)PYRIDINE-4-CARBOHYDRAZIDE'>D5I</scene></td></tr> | + | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.72Å</td></tr> |
| - | <tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3ihz|3ihz]], [[4itz|4itz]], [[4j4n|4j4n]], [[4j4o|4j4o]]</td></tr>
| + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=D5I:N-(1-ADAMANTYLCARBONYL)PYRIDINE-4-CARBOHYDRAZIDE'>D5I</scene></td></tr> |
| - | <tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">PVX_101260 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=126793 PLAVS])</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=4mgv FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4mgv OCA], [https://pdbe.org/4mgv PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4mgv RCSB], [https://www.ebi.ac.uk/pdbsum/4mgv PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4mgv ProSAT]</span></td></tr> |
| - | <tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Peptidylprolyl_isomerase Peptidylprolyl isomerase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=5.2.1.8 5.2.1.8] </span></td></tr>
| + | |
| - | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4mgv FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4mgv OCA], [http://pdbe.org/4mgv PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4mgv RCSB], [http://www.ebi.ac.uk/pdbsum/4mgv PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4mgv ProSAT]</span></td></tr> | + | |
| | </table> | | </table> |
| | + | == Function == |
| | + | [https://www.uniprot.org/uniprot/A5K8X6_PLAVS A5K8X6_PLAVS] |
| | <div style="background-color:#fffaf0;"> | | <div style="background-color:#fffaf0;"> |
| | == Publication Abstract from PubMed == | | == Publication Abstract from PubMed == |
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| | </StructureSection> | | </StructureSection> |
| | [[Category: Large Structures]] | | [[Category: Large Structures]] |
| - | [[Category: Peptidylprolyl isomerase]] | + | [[Category: Plasmodium vivax Sal-1]] |
| - | [[Category: Plavs]]
| + | [[Category: Harikishore A]] |
| - | [[Category: Harikishore, A]] | + | [[Category: Rajan S]] |
| - | [[Category: Rajan, S]] | + | [[Category: Yoon HS]] |
| - | [[Category: Yoon, H S]] | + | |
| - | [[Category: D5]]
| + | |
| - | [[Category: Fk506]]
| + | |
| - | [[Category: Fkbp]]
| + | |
| - | [[Category: Fkbp35]]
| + | |
| - | [[Category: Inhibitor]]
| + | |
| - | [[Category: Isomerase]]
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| Structural highlights
Function
A5K8X6_PLAVS
Publication Abstract from PubMed
FKBP35, FK506 binding protein family member, in Plasmodium species displays a canonical peptidyl-prolyl isomerase (PPIase) activity and is intricately involved in the protein folding process. Inhibition of PfFKBP35 by FK506 or its analogues were shown to interfere with the in vitro growth of Plasmodium falciparum. In this study, we have synthesized adamantyl derivatives, Supradamal (SRA/4a) and its analogues SRA1/4b and SRA2/4c, which demonstrate submicromolar inhibition of Plasmodium falciparum FK506 binding domain 35 (FKBD35) PPIase activity. SRA and its analogues not only inhibit the in vitro growth of Plasmodium falciparum 3D7 strain but also show stage specific activity by inhibiting the trophozoite stage of the parasite. SRA/4a also inhibits the Plasmodium vivax FKBD35 PPIase activity and our crystal structure of PvFKBD35 in complex with the SRA provides structural insights in achieving selective inhibition against Plasmodium FKBPs.
Adamantyl derivative as a potent inhibitor of Plasmodium FK506 binding protein 35.,Harikishore A, Leow ML, Niang M, Rajan S, Pasunooti KK, Preiser PR, Liu X, Yoon HS ACS Med Chem Lett. 2013 Sep 16;4(11):1097-101. doi: 10.1021/ml400306r., eCollection 2013 Nov 14. PMID:24900611[1]
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.
References
- ↑ Harikishore A, Leow ML, Niang M, Rajan S, Pasunooti KK, Preiser PR, Liu X, Yoon HS. Adamantyl derivative as a potent inhibitor of Plasmodium FK506 binding protein 35. ACS Med Chem Lett. 2013 Sep 16;4(11):1097-101. doi: 10.1021/ml400306r., eCollection 2013 Nov 14. PMID:24900611 doi:http://dx.doi.org/10.1021/ml400306r
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