7ow8: Difference between revisions

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<StructureSection load='7ow8' size='340' side='right'caption='[[7ow8]], [[Resolution|resolution]] 3.50&Aring;' scene=''>
<StructureSection load='7ow8' size='340' side='right'caption='[[7ow8]], [[Resolution|resolution]] 3.50&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
<table><tr><td colspan='2'>[[7ow8]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7OW8 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7OW8 FirstGlance]. <br>
<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7OW8 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7OW8 FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ATP:ADENOSINE-5-TRIPHOSPHATE'>ATP</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene></td></tr>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">Electron Microscopy, [[Resolution|Resolution]] 3.5&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ATP:ADENOSINE-5-TRIPHOSPHATE'>ATP</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</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=7ow8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7ow8 OCA], [https://pdbe.org/7ow8 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7ow8 RCSB], [https://www.ebi.ac.uk/pdbsum/7ow8 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7ow8 ProSAT]</span></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=7ow8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7ow8 OCA], [https://pdbe.org/7ow8 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7ow8 RCSB], [https://www.ebi.ac.uk/pdbsum/7ow8 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7ow8 ProSAT]</span></td></tr>
</table>
</table>
== Function ==
[[https://www.uniprot.org/uniprot/BMRA_BACSU BMRA_BACSU]] An efflux transporter able to transport Hoechst 33342, ethidium bromide, doxorubicin and a number of other drugs in vitro into inside out vesicles. The endogenous substrate is unknown. It has been suggested that NBD dimerization induced by ATP-binding causes a large conformational change responsible for substrate translocation (PubMed:18215075). Transmembrane domains (TMD) form a pore in the inner membrane and the ATP-binding domain (NBD) is responsible for energy generation (Probable).<ref>PMID:18215075</ref> 
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
Multidrug ABC transporters translocate drugs across membranes by a mechanism for which the molecular features of drug release are so far unknown. Here, we resolved three ATP-Mg(2+)-bound outward-facing conformations of the Bacillus subtilis (homodimeric) BmrA by x-ray crystallography and single-particle cryo-electron microscopy (EM) in detergent solution, one of them with rhodamine 6G (R6G), a substrate exported by BmrA when overexpressed in B. subtilis. Two R6G molecules bind to the drug-binding cavity at the level of the outer leaflet, between transmembrane (TM) helices 1-2 of one monomer and TM5'-6' of the other. They induce a rearrangement of TM1-2, highlighting a local flexibility that we confirmed by hydrogen/deuterium exchange and molecular dynamics simulations. In the absence of R6G, simulations show a fast postrelease occlusion of the cavity driven by hydrophobicity, while when present, R6G can move within the cavity, maintaining it open.


Substrate-bound and substrate-free outward-facing structures of a multidrug ABC exporter.,Chaptal V, Zampieri V, Wiseman B, Orelle C, Martin J, Nguyen KA, Gobet A, Di Cesare M, Magnard S, Javed W, Eid J, Kilburg A, Peuchmaur M, Marcoux J, Monticelli L, Hogbom M, Schoehn G, Jault JM, Boumendjel A, Falson P Sci Adv. 2022 Jan 28;8(4):eabg9215. doi: 10.1126/sciadv.abg9215. Epub 2022 Jan, 26. PMID:35080979<ref>PMID:35080979</ref>
==See Also==
 
*[[ABC transporter 3D structures|ABC transporter 3D structures]]
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 7ow8" style="background-color:#fffaf0;"></div>
== References ==
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
[[Category: Large Structures]]
[[Category: Large Structures]]
[[Category: Chaptal, V]]
[[Category: Chaptal V]]
[[Category: Falson, P]]
[[Category: Falson P]]
[[Category: Gobet, A]]
[[Category: Gobet A]]
[[Category: Schoehn, G]]
[[Category: Schoehn G]]
[[Category: Bmra abc transporter complex with atp-mg multidrug resistance]]
[[Category: Transport protein]]

Latest revision as of 15:29, 17 July 2024

CryoEM structure of the ABC transporter BmrA E504A mutant in complex with ATP-MgCryoEM structure of the ABC transporter BmrA E504A mutant in complex with ATP-Mg

Structural highlights

Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:Electron Microscopy, Resolution 3.5Å
Ligands:,
Resources:FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

See Also

7ow8, resolution 3.50Å

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