5jdf: Difference between revisions
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<StructureSection load='5jdf' size='340' side='right' caption='[[5jdf]], [[Resolution|resolution]] 2.65Å' scene=''> | <StructureSection load='5jdf' size='340' side='right' caption='[[5jdf]], [[Resolution|resolution]] 2.65Å' scene=''> | ||
== Structural highlights == | == Structural highlights == | ||
<table><tr><td colspan='2'>[[5jdf]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5JDF OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5JDF FirstGlance]. <br> | <table><tr><td colspan='2'>[[5jdf]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Metja Metja]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5JDF OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5JDF FirstGlance]. <br> | ||
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=1PE:PENTAETHYLENE+GLYCOL'>1PE</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=MYS:PENTADECANE'>MYS</scene>, <scene name='pdbligand=OLC:(2R)-2,3-DIHYDROXYPROPYL+(9Z)-OCTADEC-9-ENOATE'>OLC</scene></td></tr> | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=1PE:PENTAETHYLENE+GLYCOL'>1PE</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=MYS:PENTADECANE'>MYS</scene>, <scene name='pdbligand=OLC:(2R)-2,3-DIHYDROXYPROPYL+(9Z)-OCTADEC-9-ENOATE'>OLC</scene></td></tr> | ||
<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[5jdq|5jdq]], [[5jdn|5jdn]], [[5jdm|5jdm]], [[5jdl|5jdl]], [[5jdh|5jdh]], [[5jdg|5jdg]], [[5hwx|5hwx]], [[5hwy|5hwy]], [[5hxc|5hxc]], [[5hxe|5hxe]], [[5hxh|5hxh]], [[5hxr|5hxr]], [[5hxs|5hxs]], [[5hya|5hya]]</td></tr> | <tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[5jdq|5jdq]], [[5jdn|5jdn]], [[5jdm|5jdm]], [[5jdl|5jdl]], [[5jdh|5jdh]], [[5jdg|5jdg]], [[5hwx|5hwx]], [[5hwy|5hwy]], [[5hxc|5hxc]], [[5hxe|5hxe]], [[5hxh|5hxh]], [[5hxr|5hxr]], [[5hxs|5hxs]], [[5hya|5hya]]</td></tr> | ||
<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=5jdf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5jdf OCA], [http://pdbe.org/5jdf PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5jdf RCSB], [http://www.ebi.ac.uk/pdbsum/5jdf PDBsum]</span></td></tr> | <tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">MJ0091 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=243232 METJA])</td></tr> | ||
<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=5jdf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5jdf OCA], [http://pdbe.org/5jdf PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5jdf RCSB], [http://www.ebi.ac.uk/pdbsum/5jdf PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5jdf ProSAT]</span></td></tr> | |||
</table> | </table> | ||
<div style="background-color:#fffaf0;"> | <div style="background-color:#fffaf0;"> | ||
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__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
[[Category: Metja]] | |||
[[Category: Faraldo-Gomez, J D]] | [[Category: Faraldo-Gomez, J D]] | ||
[[Category: Jiang, Y X]] | [[Category: Jiang, Y X]] | ||
Revision as of 20:54, 15 November 2017
Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchanger NCX_Mj soaked with 2.5 mM Na+ and 1mM Ca2+Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchanger NCX_Mj soaked with 2.5 mM Na+ and 1mM Ca2+
Structural highlights
Publication Abstract from PubMedNa+/Ca2+ exchangers use the Na+ electrochemical gradient across the plasma membrane to extrude intracellular Ca2+ and play a central role in Ca2+ homeostasis. Here, we elucidate their mechanisms of extracellular ion recognition and exchange through a structural analysis of the exchanger from Methanococcus jannaschii (NCX_Mj) bound to Na+, Ca2+ or Sr2+ in various occupancies and in an apo state. This analysis defines the binding mode and relative affinity of these ions, establishes the structural basis for the anticipated 3:1 Na+/Ca2+-exchange stoichiometry and reveals the conformational changes at the onset of the alternating-access transport mechanism. An independent analysis of the dynamics and conformational free-energy landscape of NCX_Mj in different ion-occupancy states, based on enhanced-sampling molecular dynamics simulations, demonstrates that the crystal structures reflect mechanistically relevant, interconverting conformations. These calculations also reveal the mechanism by which the outward-to-inward transition is controlled by the ion occupancy, thereby explaining the emergence of strictly coupled Na+/Ca2+ antiport. Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger.,Liao J, Marinelli F, Lee C, Huang Y, Faraldo-Gomez JD, Jiang Y Nat Struct Mol Biol. 2016 May 16. doi: 10.1038/nsmb.3230. PMID:27183196[1] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. References
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