4v24: Difference between revisions
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==Sphingosine kinase 1 in complex with PF-543== | ==Sphingosine kinase 1 in complex with PF-543== | ||
<StructureSection load='4v24' size='340' side='right' caption='[[4v24]], [[Resolution|resolution]] 1.80Å' scene=''> | <StructureSection load='4v24' size='340' side='right'caption='[[4v24]], [[Resolution|resolution]] 1.80Å' scene=''> | ||
== Structural highlights == | == Structural highlights == | ||
<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 [ | <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> | ||
</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><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.8Å</td></tr> | ||
<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> | |||
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[ | <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 == | |||
[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> | |||
<div style="background-color:#fffaf0;"> | |||
== Publication Abstract from PubMed == | |||
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. | |||
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> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
</div> | |||
<div class="pdbe-citations 4v24" style="background-color:#fffaf0;"></div> | |||
==See Also== | |||
*[[Sphingosine kinase|Sphingosine kinase]] | |||
== References == | |||
<references/> | |||
__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
[[Category: | [[Category: Homo sapiens]] | ||
[[Category: Bountra | [[Category: Large Structures]] | ||
[[Category: Edwards | [[Category: Bountra C]] | ||
[[Category: Elkins | [[Category: Edwards A]] | ||
[[Category: Knapp | [[Category: Elkins JM]] | ||
[[Category: Shrestha | [[Category: Knapp S]] | ||
[[Category: Sorrell | [[Category: Shrestha L]] | ||
[[Category: Tallant | [[Category: Sorrell F]] | ||
[[Category: Wang | [[Category: Tallant C]] | ||
[[Category: Wang | [[Category: Wang D]] | ||
[[Category: | [[Category: Wang J]] | ||
[[Category: Von Delft F]] | |||
Latest revision as of 10:39, 10 January 2024
Sphingosine kinase 1 in complex with PF-543
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