4j4n: Difference between revisions

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-{{STRUCTURE_4j4n|  PDB=4j4n  |  SCENE=  }}
-===Crystal structure of FK506 binding domain of plasmodium falciparum FKBP35 in complex with D44===
-{{ABSTRACT_PUBMED_23974147}}
-==About this Structure==
+==Crystal structure of FK506 binding domain of plasmodium falciparum FKBP35 in complex with D44==
-[[4j4n]] is a 3 chain structure with sequence from [http://en.wikipedia.org/wiki/Plasmodium_falciparum_3d7 Plasmodium falciparum 3d7]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4J4N OCA].
+<StructureSection load='4j4n' size='340' side='right'caption='[[4j4n]], [[Resolution|resolution]] 2.75&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[4j4n]] is a 3 chain structure with sequence from [https://en.wikipedia.org/wiki/Plasmodium_falciparum_3D7 Plasmodium falciparum 3D7]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4J4N OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4J4N FirstGlance]. <br>
+</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.75&#8491;</td></tr>
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=D44:N-(2-ETHYLPHENYL)-2-(3H-IMIDAZO[4,5-B]PYRIDIN-2-YLSULFANYL)ACETAMIDE'>D44</scene></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=4j4n FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4j4n OCA], [https://pdbe.org/4j4n PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4j4n RCSB], [https://www.ebi.ac.uk/pdbsum/4j4n PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4j4n ProSAT]</span></td></tr>
+</table>
+== Function ==
+[https://www.uniprot.org/uniprot/FKB35_PLAF7 FKB35_PLAF7] Has peptidylprolyl isomerase (PPIase) and co-chaperone activities (PubMed:15664653, PubMed:15850699). Assists protein folding by catalyzing the peptidyl conversion of cis and trans rotamers of the prolyl amide bond of protein substrates (PubMed:15664653, PubMed:15850699, PubMed:23974147). Inhibits calcineurin phosphatase activity in vitro (PubMed:15850699, PubMed:17289400, PubMed:23974147). Plays an essential role in merozoite egress from host erythrocytes (PubMed:15664653, PubMed:23974147).<ref>PMID:15664653</ref> <ref>PMID:15850699</ref> <ref>PMID:17289400</ref> <ref>PMID:23974147</ref>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+Malaria parasite strains have emerged to tolerate the therapeutic effects of the prophylactics and drugs presently available. This resistance now poses a serious challenge to researchers in the bid to overcome malaria parasitic infection. Recent studies have shown that FK520 and its analogs inhibit malaria parasites growth by binding to FK506 binding proteins (FKBPs) of the parasites. Structure based drug screening efforts based on three-dimensional structural information of FKBPs from Plasmodium falciparum led us to identify new chemical entities that bind to the parasite FKBP35 and inhibit its growth. Our experimental results verify that this novel compound (D44) modulate the PPIase activity of Plasmodium FKBP35 and demonstrate the stage-specific growth inhibition of Plasmodium falciparum strains. Here, we present the X-ray crystallographic structures of FK506 binding domains (FKBDs) of PfFKBP35 and PvFKBP35 in complex with the newly identified inhibitor providing molecular insights into its mode of action.
-==Reference==
+Small molecule Plasmodium FKBP35 inhibitor as a potential antimalaria agent.,Harikishore A, Niang M, Rajan S, Preiser PR, Yoon HS Sci Rep. 2013 Aug 26;3:2501. doi: 10.1038/srep02501. PMID:23974147<ref>PMID:23974147</ref>
-<ref group="xtra">PMID:023974147</ref><references group="xtra"/><references/>
-[[Category: Peptidylprolyl isomerase]]
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-[[Category: Plasmodium falciparum 3d7]]
+</div>
-[[Category: Harikishore, A.]]
+<div class="pdbe-citations 4j4n" style="background-color:#fffaf0;"></div>
-[[Category: Sreekanth, R.]]
-[[Category: Yoon, H S.]]
+==See Also==
-[[Category: D44]]
+*[[FKBP 3D structures|FKBP 3D structures]]
-[[Category: Fk506 binding]]
+== References ==
-[[Category: Fkbp35]]
+<references/>
-[[Category: Isomerase-isomerase inhibitor complex]]
+__TOC__
+</StructureSection>
+[[Category: Large Structures]]
+[[Category: Plasmodium falciparum 3D7]]
+[[Category: Harikishore A]]
+[[Category: Sreekanth R]]
+[[Category: Yoon HS]]