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4at0
From Proteopedia
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| - | '''Unreleased structure''' | ||
| - | The | + | ==The crystal structure of 3-ketosteroid-delta4-(5alpha)-dehydrogenase from Rhodococcus jostii RHA1== |
| + | <StructureSection load='4at0' size='340' side='right'caption='[[4at0]], [[Resolution|resolution]] 1.60Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[4at0]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Rhodococcus_jostii_RHA1 Rhodococcus jostii RHA1]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4AT0 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4AT0 FirstGlance]. <br> | ||
| + | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.6Å</td></tr> | ||
| + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene></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=4at0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4at0 OCA], [https://pdbe.org/4at0 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4at0 RCSB], [https://www.ebi.ac.uk/pdbsum/4at0 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4at0 ProSAT]</span></td></tr> | ||
| + | </table> | ||
| + | == Function == | ||
| + | [https://www.uniprot.org/uniprot/Q0S4Q9_RHOJR Q0S4Q9_RHOJR] | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | 3-Ketosteroid Delta4-(5alpha)-dehydrogenases (Delta4-(5alpha)-KSTDs) are enzymes that introduce a double bond between the C4 and C5 atoms of 3-keto-(5alpha)-steroids. Here we show that the ro05698 gene from Rhodococcus jostii RHA1 codes for a flavoprotein with Delta4-(5alpha)-KSTD activity. The 1.6 A resolution crystal structure of the enzyme revealed three conserved residues (Tyr-319, Tyr-466, and Ser-468) in a pocket near the isoalloxazine ring system of the FAD co-factor. Site-directed mutagenesis of these residues confirmed that they are absolutely essential for catalytic activity. A crystal structure with bound product 4-androstene-3,17-dione showed that Ser-468 is in a position in which it can serve as the base abstracting the 4beta-proton from the C4 atom of the substrate. Ser-468 is assisted by Tyr-319, which possibly is involved in shuttling the proton to the solvent. Tyr-466 is at hydrogen bonding distance to the C3 oxygen atom of the substrate and can stabilize the keto-enol intermediate occurring during the reaction. Finally, the FAD N5 atom is in a position to be able to abstract the 5alpha-hydrogen of the substrate as a hydride ion. These features fully explain the reaction catalyzed by Delta4-(5alpha)-KSTDs. | ||
| - | + | Structure and Catalytic Mechanism of 3-Ketosteroid-{Delta}4-(5alpha)-dehydrogenase from Rhodococcus jostii RHA1 Genome.,van Oosterwijk N, Knol J, Dijkhuizen L, van der Geize R, Dijkstra BW J Biol Chem. 2012 Sep 7;287(37):30975-83. Epub 2012 Jul 24. PMID:22833669<ref>PMID:22833669</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| + | </div> | ||
| + | <div class="pdbe-citations 4at0" style="background-color:#fffaf0;"></div> | ||
| + | == References == | ||
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
| + | [[Category: Large Structures]] | ||
| + | [[Category: Rhodococcus jostii RHA1]] | ||
| + | [[Category: Dijkhuizen L]] | ||
| + | [[Category: Dijkstra BW]] | ||
| + | [[Category: Knol J]] | ||
| + | [[Category: Van Oosterwijk N]] | ||
| + | [[Category: Van der Geize R]] | ||
Current revision
The crystal structure of 3-ketosteroid-delta4-(5alpha)-dehydrogenase from Rhodococcus jostii RHA1
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