4j2t: Difference between revisions
New page: '''Unreleased structure''' The entry 4j2t is ON HOLD Authors: Paulsen, E.S., Villadsen, J., Tenori, E., Liu, H., Lie, M.A., Bonde, D.F., Bublitz, M., Olesen, C., Autzen, H.E., Dach, I.,... |
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The | ==Inhibitor-bound Ca2+ ATPase== | ||
<StructureSection load='4j2t' size='340' side='right'caption='[[4j2t]], [[Resolution|resolution]] 3.20Å' scene=''> | |||
== Structural highlights == | |||
<table><tr><td colspan='2'>[[4j2t]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Oryctolagus_cuniculus Oryctolagus cuniculus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4J2T OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4J2T 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]] 3.2Å</td></tr> | |||
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=1HT:(3S,3AR,4S,6S,6AR,7S,8S,9BS)-6-(ACETYLOXY)-3A,4-BIS(BUTANOYLOXY)-3-HYDROXY-3,6,9-TRIMETHYL-8-{[(2E)-2-METHYLBUT-2-ENOYL]OXY}-2-OXO-2,3,3A,4,5,6,6A,7,8,9B-DECAHYDROAZULENO[4,5-B]FURAN-7-YL+OCTANOATE'>1HT</scene>, <scene name='pdbligand=K:POTASSIUM+ION'>K</scene>, <scene name='pdbligand=PTY:PHOSPHATIDYLETHANOLAMINE'>PTY</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=4j2t FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4j2t OCA], [https://pdbe.org/4j2t PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4j2t RCSB], [https://www.ebi.ac.uk/pdbsum/4j2t PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4j2t ProSAT]</span></td></tr> | |||
</table> | |||
== Function == | |||
[https://www.uniprot.org/uniprot/AT2A1_RABIT AT2A1_RABIT] This magnesium-dependent enzyme catalyzes the hydrolysis of ATP coupled with the translocation of calcium from the cytosol to the sarcoplasmic reticulum lumen. Contributes to calcium sequestration involved in muscular excitation/contraction (By similarity). | |||
<div style="background-color:#fffaf0;"> | |||
== Publication Abstract from PubMed == | |||
A crystal structure suggests four water molecules are present in the binding cavity of thapsigargin in sarco/endoplasmic reticulum calcium ATPase (SERCA). Computational chemistry indicates that three of these water molecules mediate an extensive hydrogen-bonding network between thapsigargin and the backbone of SERCA. The orientation of the thapsigargin molecule in SERCA is crucially dependent on these interactions. The hypothesis has been verified by measuring the affinity of newly synthesized model compounds, which are prevented from participating in such water-mediated interactions as hydrogen-bond donors. | |||
Water-mediated interactions influence the binding of thapsigargin to sarco/endoplasmic reticulum calcium adenosinetriphosphatase.,Paulsen ES, Villadsen J, Tenori E, Liu H, Bonde DF, Lie MA, Bublitz M, Olesen C, Autzen HE, Dach I, Sehgal P, Nissen P, Moller JV, Schiott B, Christensen SB J Med Chem. 2013 May 9;56(9):3609-19. doi: 10.1021/jm4001083. Epub 2013 Apr 30. PMID:23574308<ref>PMID:23574308</ref> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
</div> | |||
<div class="pdbe-citations 4j2t" style="background-color:#fffaf0;"></div> | |||
==See Also== | |||
*[[ATPase 3D structures|ATPase 3D structures]] | |||
== References == | |||
<references/> | |||
__TOC__ | |||
</StructureSection> | |||
[[Category: Large Structures]] | |||
[[Category: Oryctolagus cuniculus]] | |||
[[Category: Autzen HE]] | |||
[[Category: Bonde DF]] | |||
[[Category: Bublitz M]] | |||
[[Category: Christensen SB]] | |||
[[Category: Dach I]] | |||
[[Category: Lie MA]] | |||
[[Category: Liu H]] | |||
[[Category: Moller JV]] | |||
[[Category: Nissen P]] | |||
[[Category: Olesen C]] | |||
[[Category: Paulsen ES]] | |||
[[Category: Schiott B]] | |||
[[Category: Sehgal P]] | |||
[[Category: Tenori E]] | |||
[[Category: Villadsen J]] | |||