3rgn

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[[Image:3rgn.png|left|200px]]
 
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==Crystal structure of spin-labeled BtuB W371R1==
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The line below this paragraph, containing "STRUCTURE_3rgn", creates the "Structure Box" on the page.
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<StructureSection load='3rgn' size='340' side='right'caption='[[3rgn]], [[Resolution|resolution]] 2.30&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'>[[3rgn]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Escherichia_coli_K-12 Escherichia coli K-12]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3RGN OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3RGN FirstGlance]. <br>
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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]] 2.3&#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=C8E:(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE'>C8E</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=MTN:S-[(1-OXYL-2,2,5,5-TETRAMETHYL-2,5-DIHYDRO-1H-PYRROL-3-YL)METHYL]+METHANESULFONOTHIOATE'>MTN</scene></td></tr>
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{{STRUCTURE_3rgn| PDB=3rgn | 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=3rgn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3rgn OCA], [https://pdbe.org/3rgn PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3rgn RCSB], [https://www.ebi.ac.uk/pdbsum/3rgn PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3rgn ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/BTUB_ECOLI BTUB_ECOLI] Involved in the active translocation of vitamin B12 (cyanocobalamin) across the outer membrane to the periplasmic space. It derives its energy for transport by interacting with the trans-periplasmic membrane protein TonB. Is also a receptor for bacteriophages BF23 and C1, and for A and E colicins.[HAMAP-Rule:MF_01531]
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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In this work, electron paramagnetic resonance (EPR) spectroscopy and X-ray crystallography were used to examine the origins of EPR line shapes from spin-labels at the protein-lipid interface on the beta-barrel membrane protein BtuB. Two atomic-resolution structures were obtained for the methanethiosulfonate spin-label derivatized to cysteines on the membrane-facing surface of BtuB. At one of these sites, position 156, the label side chain resides in a pocket formed by neighboring residues; however, it extends from the protein surface and yields a single-component EPR spectrum in the crystal that results primarily from fast rotation about the fourth and fifth bonds linking the spin-label to the protein backbone. In lipid bilayers, site 156 yields a multicomponent spectrum resulting from different rotameric states of the labeled side chain. Moreover, changes in the lipid environment, such as variations in bilayer thickness, modulate the EPR spectrum by modulating label rotamer populations. At a second site, position 371, the labeled side chain interacts with a pocket on the protein surface, leading to a highly immobilized single-component EPR spectrum that is not sensitive to hydrocarbon thickness. This spectrum is similar to that seen at other sites that are deep in the hydrocarbon, such as position 170. This work indicates that the rotameric states of spin-labels on exposed hydrocarbon sites are sensitive to the environment at the protein-hydrocarbon interface, and that this environment may modulate weak interactions between the labeled side chain and the protein surface. In the case of BtuB, lipid acyl chain packing is not symmetric around the beta-barrel, and EPR spectra from labeled hydrocarbon-facing sites in BtuB may reflect this asymmetry. In addition to facilitating the interpretation of EPR spectra of membrane proteins, these results have important implications for the use of long-range distance restraints in protein structure refinement that are obtained from spin-labels.
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===Crystal structure of spin-labeled BtuB W371R1===
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Molecular Origin of Electron Paramagnetic Resonance Line Shapes on beta-Barrel Membrane Proteins: The Local Solvation Environment Modulates Spin-Label Configuration.,Freed DM, Khan AK, Horanyi PS, Cafiso DS Biochemistry. 2011 Oct 18;50(41):8792-803. Epub 2011 Sep 22. PMID:21894979<ref>PMID:21894979</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 3rgn" style="background-color:#fffaf0;"></div>
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==See Also==
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The line below this paragraph, {{ABSTRACT_PUBMED_21894979}}, adds the Publication Abstract to the page
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*[[BtuB 3D structures|BtuB 3D structures]]
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(as it appears on PubMed at http://www.pubmed.gov), where 21894979 is the PubMed ID number.
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== References ==
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<references/>
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{{ABSTRACT_PUBMED_21894979}}
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__TOC__
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</StructureSection>
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==About this Structure==
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[[Category: Escherichia coli K-12]]
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[[3rgn]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3RGN OCA].
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[[Category: Large Structures]]
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[[Category: Cafiso DS]]
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==Reference==
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[[Category: Freed DM]]
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<ref group="xtra">PMID:021894979</ref><references group="xtra"/>
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[[Category: Horanyi PS]]
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[[Category: Escherichia coli]]
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[[Category: Wiener MC]]
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[[Category: Cafiso, D S.]]
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[[Category: Freed, D M.]]
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[[Category: Horanyi, P S.]]
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[[Category: Wiener, M C.]]
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[[Category: Beta-barrel]]
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[[Category: Cobalamin]]
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[[Category: Outer membrane]]
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[[Category: Receptor]]
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[[Category: Tonb]]
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[[Category: Transport protein]]
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[[Category: Transporter]]
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Current revision

Crystal structure of spin-labeled BtuB W371R1

PDB ID 3rgn

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