7mew
From Proteopedia
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==E. coli MsbA in complex with G247== | ==E. coli MsbA in complex with G247== | ||
| - | <StructureSection load='7mew' size='340' side='right'caption='[[7mew]]' scene=''> | + | <StructureSection load='7mew' size='340' side='right'caption='[[7mew]], [[Resolution|resolution]] 3.90Å' scene=''> |
== Structural highlights == | == Structural highlights == | ||
| - | <table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7MEW OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7MEW FirstGlance]. <br> | + | <table><tr><td colspan='2'>[[7mew]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7MEW OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7MEW FirstGlance]. <br> |
| - | </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=7mew FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7mew OCA], [https://pdbe.org/7mew PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7mew RCSB], [https://www.ebi.ac.uk/pdbsum/7mew PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7mew ProSAT]</span></td></tr> | + | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=Z5Y:(2E)-3-{1-cyclopropyl-7-[(1S)-1-(3,6-dichloro-2-fluorophenyl)ethoxy]naphthalen-2-yl}prop-2-enoic+acid'>Z5Y</scene></td></tr> |
| + | <tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/ABC-type_lipid_A-core_oligosaccharide_transporter ABC-type lipid A-core oligosaccharide transporter], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=7.5.2.6 7.5.2.6] </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=7mew FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7mew OCA], [https://pdbe.org/7mew PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7mew RCSB], [https://www.ebi.ac.uk/pdbsum/7mew PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7mew ProSAT]</span></td></tr> | ||
</table> | </table> | ||
| + | == Function == | ||
| + | [[https://www.uniprot.org/uniprot/A0A140NBS6_ECOBD A0A140NBS6_ECOBD]] Involved in lipopolysaccharide (LPS) biosynthesis. Translocates lipid A-core from the inner to the outer leaflet of the inner membrane. Transmembrane domains (TMD) form a pore in the inner membrane and the ATP-binding domain (NBD) is responsible for energy generation.[HAMAP-Rule:MF_01703] | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | ATP-binding cassette (ABC) transporters couple ATP hydrolysis to substrate transport across biological membranes. Although many are promising drug targets, their mechanisms of modulation by small molecule inhibitors remain largely unknown. Intriguingly, two first-generation inhibitors of the MsbA transporter, TBT1 and G247, induce opposite effects on ATP hydrolysis. Using single-particle cryo-electron microscopy and functional assays, we show that TBT1 and G247 bind adjacent yet separate pockets in the MsbA transmembrane domains. Two TBT1 molecules asymmetrically occupy the substrate binding site, leading to a collapsed inward-facing conformation with decreased distance between the nucleotide-binding domains (NBDs). In contrast, two G247 molecules symmetrically increases NBD distance in a wide inward-open state of MsbA. The divergent mechanisms of action of these MsbA inhibitors provide important insights into ABC transporter pharmacology. | ||
| + | |||
| + | Distinct allosteric mechanisms of first-generation MsbA inhibitors.,Thelot FA, Zhang W, Song K, Xu C, Huang J, Liao M Science. 2021 Sep 23. doi: 10.1126/science.abi9009. PMID:34554829<ref>PMID:34554829</ref> | ||
| + | |||
| + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | ||
| + | </div> | ||
| + | <div class="pdbe-citations 7mew" style="background-color:#fffaf0;"></div> | ||
| + | == References == | ||
| + | <references/> | ||
__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
| + | [[Category: ABC-type lipid A-core oligosaccharide transporter]] | ||
[[Category: Large Structures]] | [[Category: Large Structures]] | ||
| - | [[Category: Liao M]] | + | [[Category: Liao, M]] |
| - | [[Category: Thelot F]] | + | [[Category: Thelot, F]] |
| + | [[Category: Membrane protein]] | ||
Revision as of 07:59, 10 November 2021
E. coli MsbA in complex with G247
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