3btl

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{{Seed}}
 
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[[Image:3btl.png|left|200px]]
 
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==crystal structure of QacR(E58Q) bound to malachite green==
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The line below this paragraph, containing "STRUCTURE_3btl", creates the "Structure Box" on the page.
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<StructureSection load='3btl' size='340' side='right'caption='[[3btl]], [[Resolution|resolution]] 2.90&Aring;' scene=''>
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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== Structural highlights ==
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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<table><tr><td colspan='2'>[[3btl]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Staphylococcus_aureus_subsp._aureus_Mu50 Staphylococcus aureus subsp. aureus Mu50]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3BTL OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3BTL FirstGlance]. <br>
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or leave the SCENE parameter empty for the default display.
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.9&#8491;</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=MGR:MALACHITE+GREEN'>MGR</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
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{{STRUCTURE_3btl| PDB=3btl | SCENE= }}
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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=3btl FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3btl OCA], [https://pdbe.org/3btl PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3btl RCSB], [https://www.ebi.ac.uk/pdbsum/3btl PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3btl ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/QACR_STAAM QACR_STAAM] Transcriptional repressor of qacA. Binds to IR1, an unusually long 28 bp operator, which is located downstream from the qacA promoter and overlaps its transcription start site. QacR is induced from its IR1 site by binding to one of many structurally dissimilar cationic lipophilic compounds, which are also substrates of QacA (By similarity).
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== Evolutionary Conservation ==
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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<jmolCheckbox>
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/bt/3btl_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
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<text>to colour the structure by Evolutionary Conservation</text>
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</jmolCheckbox>
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</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=3btl ConSurf].
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<div style="clear:both"></div>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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The Staphylococcus aureus multidrug binding protein QacR binds to a broad spectrum of structurally dissimilar cationic, lipophilic drugs. Our previous structural analyses suggested that five QacR glutamic acid residues are critical for charge neutralization and specification of certain drugs. For example, E57 and E58 interact with berberine and with one of the positively charged moieties of the bivalent drug dequalinium. Here we report the structural and biochemical effects of substituting E57 and E58 with alanine and glutamine. Unexpectedly, individual substitutions of these residues did not significantly affect QacR drug binding affinity. Structures of QacR(E57Q) and QacR(E58Q) bound to dequalinium indicated that E57 and E58 are redundant for charge neutralization. The most significant finding was that berberine was reoriented in the QacR multidrug binding pocket so that its positive charge was neutralized by side chain oxygen atoms and aromatic residues. Together, these data emphasize the remarkable versatility of the QacR multidrug binding pocket, illustrating that the capacity of QacR to bind myriad cationic drugs is largely governed by the presence in the pocket of a redundancy of polar, charged, and aromatic residues that are capable of electrostatic neutralization.
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===crystal structure of QacR(E58Q) bound to malachite green===
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QacR-cation recognition is mediated by a redundancy of residues capable of charge neutralization.,Peters KM, Schuman JT, Skurray RA, Brown MH, Brennan RG, Schumacher MA Biochemistry. 2008 Aug 5;47(31):8122-9. Epub 2008 Jul 11. PMID:18616285<ref>PMID:18616285</ref>
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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<div class="pdbe-citations 3btl" style="background-color:#fffaf0;"></div>
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==See Also==
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The line below this paragraph, {{ABSTRACT_PUBMED_18616285}}, adds the Publication Abstract to the page
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*[[Tetracycline repressor protein 3D structures|Tetracycline repressor protein 3D structures]]
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(as it appears on PubMed at http://www.pubmed.gov), where 18616285 is the PubMed ID number.
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*[[Transcriptional activator 3D structures|Transcriptional activator 3D structures]]
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== References ==
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{{ABSTRACT_PUBMED_18616285}}
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<references/>
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__TOC__
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==About this Structure==
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</StructureSection>
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3BTL is a 4 chains structure of sequences from [http://en.wikipedia.org/wiki/Staphylococcus_aureus Staphylococcus aureus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3BTL OCA].
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[[Category: Large Structures]]
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[[Category: Staphylococcus aureus subsp. aureus Mu50]]
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==Reference==
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[[Category: Brennan RG]]
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<ref group="xtra">PMID:18616285</ref><references group="xtra"/>
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[[Category: Schumacher MA]]
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[[Category: Staphylococcus aureus]]
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[[Category: Schuman JT]]
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[[Category: Brennan, R G.]]
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[[Category: Schumacher, M A.]]
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[[Category: Schuman, J T.]]
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[[Category: Dna-binding]]
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[[Category: Dye]]
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[[Category: Malachite green]]
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[[Category: Multidrug binding]]
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[[Category: Plasmid]]
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[[Category: Qacr]]
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[[Category: Repressor]]
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[[Category: Transcription]]
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[[Category: Transcription regulation]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Feb 18 02:19:16 2009''
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Current revision

crystal structure of QacR(E58Q) bound to malachite green

PDB ID 3btl

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