7br2

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Current revision (10:49, 27 March 2024) (edit) (undo)
 
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<StructureSection load='7br2' size='340' side='right'caption='[[7br2]], [[Resolution|resolution]] 2.33&Aring;' scene=''>
<StructureSection load='7br2' size='340' side='right'caption='[[7br2]], [[Resolution|resolution]] 2.33&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[7br2]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/"bacillus_thetaiotaomicron"_distaso_1912 "bacillus thetaiotaomicron" distaso 1912]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7BR2 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7BR2 FirstGlance]. <br>
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<table><tr><td colspan='2'>[[7br2]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Bacteroides_thetaiotaomicron Bacteroides thetaiotaomicron]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7BR2 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7BR2 FirstGlance]. <br>
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</td></tr><tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">BT_4096 ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=818 "Bacillus thetaiotaomicron" Distaso 1912])</td></tr>
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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]] 2.33&#8491;</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=7br2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7br2 OCA], [https://pdbe.org/7br2 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7br2 RCSB], [https://www.ebi.ac.uk/pdbsum/7br2 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7br2 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=7br2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7br2 OCA], [https://pdbe.org/7br2 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7br2 RCSB], [https://www.ebi.ac.uk/pdbsum/7br2 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7br2 ProSAT]</span></td></tr>
</table>
</table>
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<div style="background-color:#fffaf0;">
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== Function ==
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== Publication Abstract from PubMed ==
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[https://www.uniprot.org/uniprot/Q8A0C5_BACTN Q8A0C5_BACTN]
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When administrated orally, the vasodilating drug diltiazem can be metabolized into diacetyl diltiazem in the presence of Bacteroides thetaiotaomicron, a human gut microbe. The removal of acetyl group from the parent drug is carried out by the GDSL/SGNH-family hydrolase BT4096. Here the crystal structure of the enzyme was solved by mercury soaking and single-wavelength anomalous diffraction. The protein folds into two parts. The N-terminal part comprises the catalytic domain which is similar to other GDSL/SGNH hydrolases. The flanking C-terminal part is made up of a beta-barrel subdomain and an alpha-helical subdomain. Structural comparison shows that the catalytic domain is most akin to acetyl-xylooligosaccharide esterase and allows a plausible binding mode of diltiazem to be proposed. The beta-barrel subdomain is similar in topology to the immunoglobulin-like domains, including some carbohydrate-binding modules, of various bacterial glycoside hydrolases. Consequently, BT4096 might originally function as an oligosaccharide deacetylase with additional subdomains that could enhance substrate binding, and it acts on diltiazem just by accident.
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Structure of a gut microbial diltiazem-metabolizing enzyme suggests possible substrate binding mode.,Zhou S, Ko TP, Huang JW, Liu W, Zheng Y, Wu S, Wang Q, Xie Z, Liu Z, Chen CC, Guo RT Biochem Biophys Res Commun. 2020 Jun 30;527(3):799-804. doi:, 10.1016/j.bbrc.2020.04.116. Epub 2020 May 16. PMID:32423809<ref>PMID:32423809</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 7br2" style="background-color:#fffaf0;"></div>
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== References ==
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<references/>
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__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Bacillus thetaiotaomicron distaso 1912]]
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[[Category: Bacteroides thetaiotaomicron]]
[[Category: Large Structures]]
[[Category: Large Structures]]
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[[Category: Chen, C C]]
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[[Category: Chen C-C]]
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[[Category: Guo, R T]]
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[[Category: Guo R-T]]
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[[Category: Ko, T P]]
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[[Category: Ko T-P]]
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[[Category: Diltiazem]]
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[[Category: Drug metabolism]]
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[[Category: Gdsl]]
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[[Category: Gut microbe]]
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[[Category: Hydrolase]]
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[[Category: Serine esterase]]
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[[Category: Sgnh]]
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Current revision

BT4096 a gut microbial diltiazem-metabolizing enzyme

PDB ID 7br2

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