4is2

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==Crystal structure of the apo form of a 3alpha-hydroxysteroid dehydrogenase (BaiA2) associated with secondary bile acid synthesis from Clostridium scindens VPI12708 at 1.90 A resolution==
==Crystal structure of the apo form of a 3alpha-hydroxysteroid dehydrogenase (BaiA2) associated with secondary bile acid synthesis from Clostridium scindens VPI12708 at 1.90 A resolution==
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<StructureSection load='4is2' size='340' side='right' caption='[[4is2]], [[Resolution|resolution]] 1.90&Aring;' scene=''>
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<StructureSection load='4is2' size='340' side='right'caption='[[4is2]], [[Resolution|resolution]] 1.90&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[4is2]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Atcc_35704 Atcc 35704]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4IS2 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4IS2 FirstGlance]. <br>
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<table><tr><td colspan='2'>[[4is2]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Clostridium_scindens Clostridium scindens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4IS2 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4IS2 FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene></td></tr>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=MSE:SELENOMETHIONINE'>MSE</scene></td></tr>
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<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=MSE:SELENOMETHIONINE'>MSE</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=4is2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4is2 OCA], [https://pdbe.org/4is2 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4is2 RCSB], [https://www.ebi.ac.uk/pdbsum/4is2 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4is2 ProSAT]</span></td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4is3|4is3]]</td></tr>
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<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">baiA, BAIA2 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=29347 ATCC 35704])</td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4is2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4is2 OCA], [http://pdbe.org/4is2 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4is2 RCSB], [http://www.ebi.ac.uk/pdbsum/4is2 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4is2 ProSAT]</span></td></tr>
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</table>
</table>
== Function ==
== Function ==
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[[http://www.uniprot.org/uniprot/BAIA2_EUBSP BAIA2_EUBSP]] 7-alpha-dehydroxylation of cholic acid and chenodeoxycholate, yielding deoxycholic acid and lithocholic acid, respectively. Highest affinity with taurochenodeoxycholic acid.
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[https://www.uniprot.org/uniprot/BAIA2_CLOSV BAIA2_CLOSV] Involved in the multi-step bile acid 7alpha-dehydroxylation pathway that transforms primary bile acids to secondary bile acids in the human gut (PubMed:23836456, PubMed:16299351). Catalyzes the oxidation of C3-hydroxyl group of CoA conjugated bile acids generating a C3-oxo bile acid intermediate. Can use choloyl-CoA, chenodeoxycholoyl-CoA, deoxycholoyl-CoA, and lithocholoyl-CoA as substrates with similar efficiency. Highly prefers NAD over NADP as cosubstrate. Also catalyzes the reverse reactions; in vitro, the preferred direction of reaction depends on the pH. Has very little activity with unconjugated (non-CoA) bile acid substrates (PubMed:23836456).<ref>PMID:23836456</ref> <ref>PMID:16299351</ref>
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==See Also==
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*[[Hydroxysteroid dehydrogenase 3D structures|Hydroxysteroid dehydrogenase 3D structures]]
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== References ==
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<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Atcc 35704]]
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[[Category: Large Structures]]
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[[Category: Structural genomic]]
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[[Category: Jcsg]]
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[[Category: Oxidoreductase]]
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[[Category: PSI, Protein structure initiative]]
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[[Category: Psi-biology]]
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Revision as of 21:06, 16 November 2022

Crystal structure of the apo form of a 3alpha-hydroxysteroid dehydrogenase (BaiA2) associated with secondary bile acid synthesis from Clostridium scindens VPI12708 at 1.90 A resolution

PDB ID 4is2

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