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4rxc

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==T. Brucei Farnesyl Diphosphate Synthase Complexed with Homorisedronate BPH-6==
==T. Brucei Farnesyl Diphosphate Synthase Complexed with Homorisedronate BPH-6==
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<StructureSection load='4rxc' size='340' side='right' caption='[[4rxc]], [[Resolution|resolution]] 2.31&Aring;' scene=''>
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<StructureSection load='4rxc' size='340' side='right'caption='[[4rxc]], [[Resolution|resolution]] 2.31&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[4rxc]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4RXC OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4RXC FirstGlance]. <br>
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<table><tr><td colspan='2'>[[4rxc]] 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=4RXC OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4RXC FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=HRX:[1-HYDROXY-3-(PYRIDIN-3-YL)PROPANE-1,1-DIYL]BIS(PHOSPHONIC+ACID)'>HRX</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene></td></tr>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.31&#8491;</td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4rxd|4rxd]]</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=HRX:[1-HYDROXY-3-(PYRIDIN-3-YL)PROPANE-1,1-DIYL]BIS(PHOSPHONIC+ACID)'>HRX</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene></td></tr>
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<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=4rxc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4rxc OCA], [http://pdbe.org/4rxc PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4rxc RCSB], [http://www.ebi.ac.uk/pdbsum/4rxc PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4rxc ProSAT]</span></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=4rxc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4rxc OCA], [https://pdbe.org/4rxc PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4rxc RCSB], [https://www.ebi.ac.uk/pdbsum/4rxc PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4rxc 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/Q86C09_9TRYP Q86C09_9TRYP]
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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.
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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>
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==See Also==
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*[[Farnesyl diphosphate synthase 3D structures|Farnesyl diphosphate synthase 3D structures]]
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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 4rxc" style="background-color:#fffaf0;"></div>
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== References ==
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<references/>
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__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Cao, R]]
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[[Category: Large Structures]]
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[[Category: Liu, Y L]]
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[[Category: Trypanosoma brucei]]
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[[Category: Oldfield, E]]
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[[Category: Cao R]]
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[[Category: Transferase]]
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[[Category: Liu Y-L]]
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[[Category: Oldfield E]]

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T. Brucei Farnesyl Diphosphate Synthase Complexed with Homorisedronate BPH-6

PDB ID 4rxc

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