4rxe
From Proteopedia
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| - | '''Unreleased structure''' | ||
| - | + | ==T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-14== | |
| + | <StructureSection load='4rxe' size='340' side='right'caption='[[4rxe]], [[Resolution|resolution]] 2.50Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[4rxe]] 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=4RXE OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4RXE 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]] 2.5Å</td></tr> | ||
| + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=3YQ:{[(3-METHYLPYRIDIN-2-YL)AMINO]METHANEDIYL}BIS(PHOSPHONIC+ACID)'>3YQ</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</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=4rxe FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4rxe OCA], [https://pdbe.org/4rxe PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4rxe RCSB], [https://www.ebi.ac.uk/pdbsum/4rxe PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4rxe ProSAT]</span></td></tr> | ||
| + | </table> | ||
| + | == Function == | ||
| + | [https://www.uniprot.org/uniprot/Q86C09_9TRYP Q86C09_9TRYP] | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | Farnesyl diphosphate synthase (FPPS) is an important drug target for bone resorption, cancer, and some infectious diseases. Here, we report five new structures including two having unique bound ligand geometries. The diamidine inhibitor 7 binds to human FPPS close to the homoallylic (S2) and allosteric (S3) sites and extends into a new site, here called S4. With the bisphosphonate inhibitor 8, two molecules bind to Trypanosoma brucei FPPS, one molecule in the allylic site (S1) and the other close to S2, the first observation of two bisphosphonate molecules bound to FPPS. We also report the structures of apo-FPPS from T. brucei, together with two more bisphosphonate-bound structures (2,9), for purposes of comparison. The diamidine structure is of particular interest because 7 could represent a new lead for lipophilic FPPS inhibitors, while 8 has low micromolar activity against T. brucei, the causative agent of human African trypanosomiasis. | ||
| - | + | Farnesyl diphosphate synthase inhibitors with unique ligand-binding geometries.,Liu YL, Cao R, Wang Y, Oldfield E ACS Med Chem Lett. 2015 Jan 29;6(3):349-54. doi: 10.1021/ml500528x. eCollection, 2015 Mar 12. PMID:25815158<ref>PMID:25815158</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| + | </div> | ||
| + | <div class="pdbe-citations 4rxe" style="background-color:#fffaf0;"></div> | ||
| + | |||
| + | ==See Also== | ||
| + | *[[Farnesyl diphosphate synthase 3D structures|Farnesyl diphosphate synthase 3D structures]] | ||
| + | == References == | ||
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
| + | [[Category: Large Structures]] | ||
| + | [[Category: Trypanosoma brucei]] | ||
| + | [[Category: Cao R]] | ||
| + | [[Category: Liu Y-L]] | ||
| + | [[Category: Oldfield E]] | ||
Current revision
T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-14
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