3qqa

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[[Image:3qqa.png|left|200px]]
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==Crystal structures of CmeR-bile acid complexes from Campylobacter jejuni==
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<StructureSection load='3qqa' size='340' side='right' caption='[[3qqa]], [[Resolution|resolution]] 2.20&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[3qqa]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Campylobacter_jejuni Campylobacter jejuni]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QQA OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3QQA FirstGlance]. <br>
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</td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=TCH:TAUROCHOLIC+ACID'>TCH</scene><br>
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<tr><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3qps|3qps]], [[3oqu|3oqu]]</td></tr>
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<tr><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">cmeR, CmeR ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=197 Campylobacter jejuni])</td></tr>
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<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3qqa FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3qqa OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3qqa RCSB], [http://www.ebi.ac.uk/pdbsum/3qqa PDBsum]</span></td></tr>
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<table>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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The TetR family of transcription regulators are diverse proteins capable of sensing and responding to various structurally dissimilar antimicrobial agents. Upon detecting these agents, the regulators allow transcription of an appropriate array of resistance markers to counteract the deleterious compounds. Campylobacter jejuni CmeR is a pleiotropic regulator of multiple proteins, including the membrane-bound multidrug efflux transporter CmeABC. CmeR represses the expression of CmeABC and is induced by bile acids, which are substrates of the CmeABC tripartite pump. The multiligand-binding pocket of CmeR has been shown to be very extensive and consists of several positively charged and multiple aromatic amino acids. Here we describe the crystal structures of CmeR in complexes with the bile acids, taurocholate and cholate. Taurocholate and cholate are structurally related, differing by only the anionic charged group. However, these two ligands bind distinctly in the binding tunnel. Taurocholate spans the novel bile acid binding site adjacent to and without overlapping with the previously determined glycerol-binding site. The anionic aminoethanesulfonate group of taurocholate is neutralized by a charge-dipole interaction. Unlike taurocholate, cholate binds in an anti-parallel orientation but occupies the same bile acid-binding site. Its anionic pentanoate moiety makes a water-mediated hydrogen bond with a cationic residue to neutralize the formal negative charge. These structures underscore the promiscuity of the multifaceted binding pocket of CmeR. The capacity of CmeR to recognize bile acids was confirmed using isothermal titration calorimetry and fluorescence polarization. The results revealed that the regulator binds these acids with dissociation constants in the micromolar region.
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Crystal structures of CmeR-bile acid complexes from Campylobacter jejuni.,Lei HT, Shen Z, Surana P, Routh MD, Su CC, Zhang Q, Yu EW Protein Sci. 2011 Feb 16. doi: 10.1002/pro.602. PMID:21328631<ref>PMID:21328631</ref>
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The line below this paragraph, containing "STRUCTURE_3qqa", creates the "Structure Box" on the page.
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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or leave the SCENE parameter empty for the default display.
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{{STRUCTURE_3qqa| PDB=3qqa | SCENE= }}
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===Crystal structures of CmeR-bile acid complexes from Campylobacter jejuni===
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From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
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</div>
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== References ==
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<references/>
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The line below this paragraph, {{ABSTRACT_PUBMED_21328631}}, adds the Publication Abstract to the page
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__TOC__
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(as it appears on PubMed at http://www.pubmed.gov), where 21328631 is the PubMed ID number.
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</StructureSection>
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{{ABSTRACT_PUBMED_21328631}}
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==About this Structure==
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[[3qqa]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Campylobacter_jejuni Campylobacter jejuni]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QQA OCA].
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==Reference==
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<ref group="xtra">PMID:021328631</ref><references group="xtra"/>
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[[Category: Campylobacter jejuni]]
[[Category: Campylobacter jejuni]]
[[Category: Lei, H T.]]
[[Category: Lei, H T.]]

Revision as of 05:33, 4 June 2014

Crystal structures of CmeR-bile acid complexes from Campylobacter jejuni

3qqa, resolution 2.20Å

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