6r81
From Proteopedia
(Difference between revisions)
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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=6r81 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6r81 OCA], [https://pdbe.org/6r81 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6r81 RCSB], [https://www.ebi.ac.uk/pdbsum/6r81 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6r81 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=6r81 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6r81 OCA], [https://pdbe.org/6r81 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6r81 RCSB], [https://www.ebi.ac.uk/pdbsum/6r81 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6r81 ProSAT]</span></td></tr> | ||
</table> | </table> | ||
| + | <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. | ||
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| + | 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> | ||
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| + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | ||
| + | </div> | ||
| + | <div class="pdbe-citations 6r81" style="background-color:#fffaf0;"></div> | ||
| + | == References == | ||
| + | <references/> | ||
__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
Revision as of 07:06, 2 February 2022
Multidrug resistance transporter BmrA mutant E504A bound with ATP and Mg solved by Cryo-EM
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