5ael: Difference between revisions
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<StructureSection load='5ael' size='340' side='right'caption='[[5ael]], [[Resolution|resolution]] 2.60Å' scene=''> | <StructureSection load='5ael' size='340' side='right'caption='[[5ael]], [[Resolution|resolution]] 2.60Å' scene=''> | ||
== Structural highlights == | == Structural highlights == | ||
<table><tr><td colspan='2'>[[5ael]] is a 2 chain structure with sequence from [ | <table><tr><td colspan='2'>[[5ael]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Trypanosoma_brucei Trypanosoma brucei]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5AEL OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5AEL FirstGlance]. <br> | ||
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=QAF:{2-[3-(HEX-1-YN-1-YL)PYRIDINIUM-1-YL]ETHANE-1,1-DIYL}BIS(PHOSPHONATE)'>QAF</scene></td></tr> | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=QAF:{2-[3-(HEX-1-YN-1-YL)PYRIDINIUM-1-YL]ETHANE-1,1-DIYL}BIS(PHOSPHONATE)'>QAF</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=5ael FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5ael OCA], [https://pdbe.org/5ael PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5ael RCSB], [https://www.ebi.ac.uk/pdbsum/5ael PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5ael ProSAT]</span></td></tr> | |||
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[ | |||
</table> | </table> | ||
== Function == | |||
[https://www.uniprot.org/uniprot/Q86C09_9TRYP Q86C09_9TRYP] | |||
<div style="background-color:#fffaf0;"> | <div style="background-color:#fffaf0;"> | ||
== Publication Abstract from PubMed == | == Publication Abstract from PubMed == | ||
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</div> | </div> | ||
<div class="pdbe-citations 5ael" style="background-color:#fffaf0;"></div> | <div class="pdbe-citations 5ael" style="background-color:#fffaf0;"></div> | ||
==See Also== | |||
*[[Farnesyl diphosphate synthase 3D structures|Farnesyl diphosphate synthase 3D structures]] | |||
== References == | == References == | ||
<references/> | <references/> | ||
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</StructureSection> | </StructureSection> | ||
[[Category: Large Structures]] | [[Category: Large Structures]] | ||
[[Category: | [[Category: Trypanosoma brucei]] | ||
[[Category: | [[Category: No JH]] | ||
[[Category: | [[Category: Oldfield E]] | ||
[[Category: | [[Category: Yang G]] | ||
Revision as of 07:54, 25 May 2023
T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-597T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-597
Structural highlights
FunctionPublication Abstract from PubMedWe report the results of a screen of a library of 925 potential prenyl synthase inhibitors against Trypanosoma brucei farnesyl diphosphate synthase (TbFPPS) and against T. brucei, the causative agent of human African trypanosomiasis. The most potent compounds were lipophilic analogs of the bone resorption drug zoledronate, some of which had submicromolar to low micromolar activity against bloodstream form T. brucei and selectivity indices of up to approximately 300. We evaluated the effects of two such inhibitors on survival and parasitemia in a T. brucei mouse model of infection and found that survival increased by up to 16 days. We also investigated the binding of three lipophilic bisphosphonates to an expressed TbFPPS using crystallography and investigated the thermodynamics of binding using isothermal titration calorimetry. In Vitro and In Vivo Investigation of the Inhibition of Trypanosoma brucei Cell Growth by Lipophilic Bisphosphonates.,Yang G, Zhu W, Kim K, Byun SY, Choi G, Wang K, Cha JS, Cho HS, Oldfield E, No JH Antimicrob Agents Chemother. 2015 Dec;59(12):7530-9. doi: 10.1128/AAC.01873-15., Epub 2015 Sep 21. PMID:26392508[1] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See AlsoReferences
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