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| | <StructureSection load='4zzl' size='340' side='right'caption='[[4zzl]], [[Resolution|resolution]] 2.19Å' scene=''> | | <StructureSection load='4zzl' size='340' side='right'caption='[[4zzl]], [[Resolution|resolution]] 2.19Å' scene=''> |
| | == Structural highlights == | | == Structural highlights == |
| - | <table><tr><td colspan='2'>[[4zzl]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/"bacillus_aeruginosus"_(schroeter_1872)_trevisan_1885 "bacillus aeruginosus" (schroeter 1872) trevisan 1885]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4ZZL OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4ZZL FirstGlance]. <br> | + | <table><tr><td colspan='2'>[[4zzl]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Pseudomonas_aeruginosa Pseudomonas aeruginosa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4ZZL OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4ZZL FirstGlance]. <br> |
| - | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene></td></tr> | + | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene></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=4zzl FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4zzl OCA], [http://pdbe.org/4zzl PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4zzl RCSB], [http://www.ebi.ac.uk/pdbsum/4zzl PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4zzl 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=4zzl FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4zzl OCA], [https://pdbe.org/4zzl PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4zzl RCSB], [https://www.ebi.ac.uk/pdbsum/4zzl PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4zzl ProSAT]</span></td></tr> |
| | </table> | | </table> |
| | == Function == | | == Function == |
| - | [[http://www.uniprot.org/uniprot/MEXR_PSEAE MEXR_PSEAE]] Repressor of the mexAB-oprM multidrug resistance operon. Also represses its own expression. Many variants lead to increased expression of the mexAB-oprM operon. | + | [https://www.uniprot.org/uniprot/MEXR_PSEAE MEXR_PSEAE] Repressor of the mexAB-oprM multidrug resistance operon. Also represses its own expression. Many variants lead to increased expression of the mexAB-oprM operon. |
| | <div style="background-color:#fffaf0;"> | | <div style="background-color:#fffaf0;"> |
| | == Publication Abstract from PubMed == | | == Publication Abstract from PubMed == |
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| | </StructureSection> | | </StructureSection> |
| | [[Category: Large Structures]] | | [[Category: Large Structures]] |
| - | [[Category: Anandapadamanaban, M]] | + | [[Category: Pseudomonas aeruginosa]] |
| - | [[Category: Moche, M]] | + | [[Category: Anandapadamanaban M]] |
| - | [[Category: Pilstal, R]] | + | [[Category: Moche M]] |
| - | [[Category: Sunnerhagen, M]] | + | [[Category: Pilstal R]] |
| - | [[Category: Wallner, B]] | + | [[Category: Sunnerhagen M]] |
| - | [[Category: Ziauddin, J M.E]] | + | [[Category: Wallner B]] |
| - | [[Category: Md simulation]]
| + | [[Category: Ziauddin JME]] |
| - | [[Category: Mexab-oprm efflux pump]]
| + | |
| - | [[Category: Mexr]]
| + | |
| - | [[Category: Transcription]]
| + | |
| Structural highlights
Function
MEXR_PSEAE Repressor of the mexAB-oprM multidrug resistance operon. Also represses its own expression. Many variants lead to increased expression of the mexAB-oprM operon.
Publication Abstract from PubMed
MexR is a repressor of the MexAB-OprM multidrug efflux pump operon of Pseudomonas aeruginosa, where DNA-binding impairing mutations lead to multidrug resistance (MDR). Surprisingly, the crystal structure of an MDR-conferring MexR mutant R21W (2.19 A) presented here is closely similar to wild-type MexR. However, our extended analysis, by molecular dynamics and small-angle X-ray scattering, reveals that the mutation stabilizes a ground state that is deficient of DNA binding and is shared by both mutant and wild-type MexR, whereas the DNA-binding state is only transiently reached by the more flexible wild-type MexR. This population shift in the conformational ensemble is effected by mutation-induced allosteric coupling of contact networks that are independent in the wild-type protein. We propose that the MexR-R21W mutant mimics derepression by small-molecule binding to MarR proteins, and that the described allosteric model based on population shifts may also apply to other MarR family members.
Mutation-Induced Population Shift in the MexR Conformational Ensemble Disengages DNA Binding: A Novel Mechanism for MarR Family Derepression.,Anandapadamanaban M, Pilstal R, Andresen C, Trewhella J, Moche M, Wallner B, Sunnerhagen M Structure. 2016 Jul 13. pii: S0969-2126(16)30133-2. doi:, 10.1016/j.str.2016.06.008. PMID:27427478[1]
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.
References
- ↑ Anandapadamanaban M, Pilstal R, Andresen C, Trewhella J, Moche M, Wallner B, Sunnerhagen M. Mutation-Induced Population Shift in the MexR Conformational Ensemble Disengages DNA Binding: A Novel Mechanism for MarR Family Derepression. Structure. 2016 Jul 13. pii: S0969-2126(16)30133-2. doi:, 10.1016/j.str.2016.06.008. PMID:27427478 doi:http://dx.doi.org/10.1016/j.str.2016.06.008
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