3b3r

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[[Image:3b3r.png|left|200px]]
 
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{{STRUCTURE_3b3r| PDB=3b3r | SCENE= }}
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==Crystal structure of Streptomyces cholesterol oxidase H447Q/E361Q mutant bound to glycerol (0.98A)==
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<StructureSection load='3b3r' size='340' side='right'caption='[[3b3r]], [[Resolution|resolution]] 0.98&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[3b3r]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Streptomyces_sp._SA-COO Streptomyces sp. SA-COO]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3B3R OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3B3R 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]] 0.98&#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=FAE:FLAVIN-N7+PROTONATED-ADENINE+DINUCLEOTIDE'>FAE</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
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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=3b3r FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3b3r OCA], [https://pdbe.org/3b3r PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3b3r RCSB], [https://www.ebi.ac.uk/pdbsum/3b3r PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3b3r ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/CHOD_STRS0 CHOD_STRS0] Bifunctional enzyme that catalyzes the oxidation of the 3-beta-hydroxy group of cholesterol and the isomerization of the double bond of the resulting product.
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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/b3/3b3r_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=3b3r 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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Two high-resolution structures of a double mutant of bacterial cholesterol oxidase in the presence or absence of a ligand, glycerol, are presented, showing the trajectory of glycerol as it binds in a Michaelis complex-like position in the active site. A group of three aromatic residues forces the oxidized isoalloxazine moiety to bend along the N5-N10 axis as a response to the binding of glycerol in the active site. Movement of these aromatic residues is only observed in the glycerol-bound structure, indicating that some tuning of the FAD redox potential is caused by the formation of the Michaelis complex during regular catalysis. This structural study suggests a possible mechanism of substrate-assisted flavin activation, improves our understanding of the interplay between the enzyme, its flavin cofactor and its substrate, and is of use to the future design of effective cholesterol oxidase inhibitors.
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===Crystal structure of Streptomyces cholesterol oxidase H447Q/E361Q mutant bound to glycerol (0.98A)===
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Distortion of flavin geometry is linked to ligand binding in cholesterol oxidase.,Lyubimov AY, Heard K, Tang H, Sampson NS, Vrielink A Protein Sci. 2007 Dec;16(12):2647-56. PMID:18029419<ref>PMID:18029419</ref>
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{{ABSTRACT_PUBMED_18029419}}
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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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==About this Structure==
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<div class="pdbe-citations 3b3r" style="background-color:#fffaf0;"></div>
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[[3b3r]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Streptomyces_sp. Streptomyces sp.]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3B3R OCA].
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==See Also==
==See Also==
*[[Cholesterol oxidase|Cholesterol oxidase]]
*[[Cholesterol oxidase|Cholesterol oxidase]]
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== References ==
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==Reference==
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<references/>
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<ref group="xtra">PMID:018029419</ref><references group="xtra"/>
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__TOC__
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[[Category: Cholesterol oxidase]]
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</StructureSection>
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[[Category: Streptomyces sp.]]
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[[Category: Large Structures]]
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[[Category: Heard, K.]]
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[[Category: Streptomyces sp. SA-COO]]
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[[Category: Lyubimov, A Y.]]
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[[Category: Heard K]]
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[[Category: Sampson, N S.]]
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[[Category: Lyubimov AY]]
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[[Category: Tang, H.]]
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[[Category: Sampson NS]]
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[[Category: Vrielink, A.]]
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[[Category: Tang H]]
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[[Category: Cholesterol metabolism]]
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[[Category: Vrielink A]]
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[[Category: Cholesterol oxidase]]
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[[Category: Covalently-modified flavin]]
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[[Category: Fad]]
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[[Category: Flavin]]
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[[Category: Flavoenzyme]]
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[[Category: Flavoprotein]]
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[[Category: Lipid metabolism]]
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[[Category: Oxidoreductase]]
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[[Category: Secreted]]
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[[Category: Steroid metabolism]]
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Current revision

Crystal structure of Streptomyces cholesterol oxidase H447Q/E361Q mutant bound to glycerol (0.98A)

PDB ID 3b3r

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