5epo

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==The three-dimensional structure of Clostridium absonum 7alpha-hydroxysteroid dehydrogenase==
==The three-dimensional structure of Clostridium absonum 7alpha-hydroxysteroid dehydrogenase==
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<StructureSection load='5epo' size='340' side='right' caption='[[5epo]], [[Resolution|resolution]] 2.00&Aring;' scene=''>
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<StructureSection load='5epo' size='340' side='right'caption='[[5epo]], [[Resolution|resolution]] 2.00&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[5epo]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5EPO OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5EPO FirstGlance]. <br>
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<table><tr><td colspan='2'>[[5epo]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Clostridium_sardiniense Clostridium sardiniense]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5EPO OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5EPO 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=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene>, <scene name='pdbligand=TUD:TAUROCHENODEOXYCHOLIC+ACID'>TUD</scene></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&#8491;</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=5epo FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5epo OCA], [http://pdbe.org/5epo PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5epo RCSB], [http://www.ebi.ac.uk/pdbsum/5epo PDBsum]</span></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=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene>, <scene name='pdbligand=TUD:TAUROCHENODEOXYCHOLIC+ACID'>TUD</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=5epo FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5epo OCA], [https://pdbe.org/5epo PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5epo RCSB], [https://www.ebi.ac.uk/pdbsum/5epo PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5epo 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/HDHA_CLOSR HDHA_CLOSR] 7alpha-hydroxysteroid dehydrogenase that catalyzes the NADP(+)-dependent oxidation of the 7alpha-hydroxy group of 7alpha-hydroxysteroids, such as cholate, chenodeoxycholate, glycochenodeoxycholate and taurochenodeoxycholate, to the corresponding 7-oxosteroids (PubMed:22198717, PubMed:24810359). Is also able to catalyze the reverse reduction reactions (PubMed:22198717). Together with 7beta-HSDH encoded in the adjacent gene, is likely involved in the epimerization of the hydroxy group at C-7 of primary bile acids through 7-keto bile acid intermediates (PubMed:22198717).<ref>PMID:22198717</ref> <ref>PMID:24810359</ref>
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7alpha-hydroxysteroid dehydrogenase (7alpha-HSDH) can catalyse the oxidation of C7 alpha-OH of the steroid nucleus in the bile acid metabolism. In the paper we determined the crystal structure of 7alpha-HSDH from Clostridium absonum (CA 7alpha-HSDH) complexed with taurochenodeoxycholic acid (TCDCA) and NADP(+) by X-ray diffraction, which, as a tetramer, possesses the typical alpha/beta folding pattern. The four subunits of an asymmetric unit lie in the fact that there are the stable hydrophobic interactions between Q-axis-related subunits. Significantly, we captured an active state of the NADP(+), confirming that nicotinamide moiety of NADP(+) act as electron carrier in the dehydrogenation. On the basis of crystal structure analysis, site-directed mutagenesis and MD simulation, furthermore, we find that the guanidinium of Arg38 can form the stable cation-pi interaction with the adenine ring of NADP(+), and the cation-pi interaction and hydrogen bonds between Arg38 and NADP(+) have a significant anchor effect on the cofactor binding to CA 7alpha-HSDH.
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The three-dimensional structure of Clostridium absonum 7alpha-hydroxysteroid dehydrogenase: new insights into the conserved arginines for NADP(H) recognition.,Lou D, Wang B, Tan J, Zhu L, Cen X, Ji Q, Wang Y Sci Rep. 2016 Mar 10;6:22885. doi: 10.1038/srep22885. PMID:26961171<ref>PMID:26961171</ref>
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==See Also==
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*[[Hydroxysteroid dehydrogenase 3D structures|Hydroxysteroid dehydrogenase 3D structures]]
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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 5epo" style="background-color:#fffaf0;"></div>
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== References ==
== References ==
<references/>
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Lou, D]]
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[[Category: Clostridium sardiniense]]
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[[Category: Wang, B]]
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[[Category: Large Structures]]
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[[Category: Wang, F]]
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[[Category: Lou D]]
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[[Category: Metabolic process]]
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[[Category: Wang B]]
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[[Category: Oxidoreductase]]
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[[Category: Wang F]]
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[[Category: Oxidoreductase activity]]
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Current revision

The three-dimensional structure of Clostridium absonum 7alpha-hydroxysteroid dehydrogenase

PDB ID 5epo

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