4v24

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==Sphingosine kinase 1 in complex with PF-543==
==Sphingosine kinase 1 in complex with PF-543==
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<StructureSection load='4v24' size='340' side='right' caption='[[4v24]], [[Resolution|resolution]] 1.80&Aring;' scene=''>
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<StructureSection load='4v24' size='340' side='right'caption='[[4v24]], [[Resolution|resolution]] 1.80&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[4v24]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4V24 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4V24 FirstGlance]. <br>
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<table><tr><td colspan='2'>[[4v24]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4V24 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4V24 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=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=GYR:{(2R)-1-[4-({3-METHYL-5-[(PHENYLSULFONYL)METHYL]PHENOXY}METHYL)BENZYL]PYRROLIDIN-2-YL}METHANOL'>GYR</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]] 1.8&#8491;</td></tr>
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<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Sphinganine_kinase Sphinganine kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.91 2.7.1.91] </span></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=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=GYR:{(2R)-1-[4-({3-METHYL-5-[(PHENYLSULFONYL)METHYL]PHENOXY}METHYL)BENZYL]PYRROLIDIN-2-YL}METHANOL'>GYR</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=4v24 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4v24 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4v24 RCSB], [http://www.ebi.ac.uk/pdbsum/4v24 PDBsum]</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=4v24 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4v24 OCA], [https://pdbe.org/4v24 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4v24 RCSB], [https://www.ebi.ac.uk/pdbsum/4v24 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4v24 ProSAT]</span></td></tr>
</table>
</table>
== Function ==
== Function ==
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[[http://www.uniprot.org/uniprot/SPHK1_HUMAN SPHK1_HUMAN]] Catalyzes the phosphorylation of sphingosine to form sphingosine 1-phosphate (SPP), a lipid mediator with both intra- and extracellular functions. Also acts on D-erythro-sphingosine and to a lesser extent sphinganine, but not other lipids, such as D,L-threo-dihydrosphingosine, N,N-dimethylsphingosine, diacylglycerol, ceramide, or phosphatidylinositol.<ref>PMID:20577214</ref>
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[https://www.uniprot.org/uniprot/SPHK1_HUMAN SPHK1_HUMAN] Catalyzes the phosphorylation of sphingosine to form sphingosine 1-phosphate (SPP), a lipid mediator with both intra- and extracellular functions. Also acts on D-erythro-sphingosine and to a lesser extent sphinganine, but not other lipids, such as D,L-threo-dihydrosphingosine, N,N-dimethylsphingosine, diacylglycerol, ceramide, or phosphatidylinositol.<ref>PMID:20577214</ref>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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The most potent inhibitor of Sphingosine Kinase 1 (SPHK1) so far identified is PF-543. The crystal structure of SPHK1 in complex with inhibitor PF-543 to 1.8 A resolution reveals the inhibitor bound in a bent conformation analogous to that expected of a bound sphingosine substrate but with a rotated head group. The structural data presented will aid in the design of SPHK1 and SPHK2 inhibitors with improved properties.
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Crystal Structure of Sphingosine Kinase 1 with PF-543.,Wang J, Knapp S, Pyne NJ, Pyne S, Elkins JM ACS Med Chem Lett. 2014 Oct 27;5(12):1329-33. doi: 10.1021/ml5004074. eCollection, 2014 Dec 11. PMID:25516793<ref>PMID:25516793</ref>
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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 4v24" style="background-color:#fffaf0;"></div>
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==See Also==
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*[[Sphingosine kinase|Sphingosine kinase]]
== References ==
== References ==
<references/>
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Sphinganine kinase]]
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[[Category: Homo sapiens]]
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[[Category: Bountra, C]]
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[[Category: Large Structures]]
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[[Category: Edwards, A]]
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[[Category: Bountra C]]
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[[Category: Elkins, J M]]
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[[Category: Edwards A]]
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[[Category: Knapp, S]]
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[[Category: Elkins JM]]
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[[Category: Shrestha, L]]
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[[Category: Knapp S]]
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[[Category: Sorrell, F]]
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[[Category: Shrestha L]]
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[[Category: Tallant, C]]
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[[Category: Sorrell F]]
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[[Category: Wang, D]]
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[[Category: Tallant C]]
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[[Category: Wang, J]]
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[[Category: Wang D]]
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[[Category: VonDelft, F]]
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[[Category: Wang J]]
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[[Category: Kinase]]
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[[Category: Von Delft F]]
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[[Category: Sphingosine]]
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[[Category: Sphk1]]
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[[Category: Transferase]]
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Current revision

Sphingosine kinase 1 in complex with PF-543

PDB ID 4v24

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