4at2
From Proteopedia
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| - | [[ | + | ==The crystal structure of 3-ketosteroid-delta4-(5alpha)-dehydrogenase from Rhodococcus jostii RHA1 in complex with 4-androstene-3,17- dione== |
| + | <StructureSection load='4at2' size='340' side='right' caption='[[4at2]], [[Resolution|resolution]] 1.60Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[4at2]] is a 1 chain structure with sequence from [http://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=4AT2 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4AT2 FirstGlance]. <br> | ||
| + | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ASD:4-ANDROSTENE-3-17-DIONE'>ASD</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene></td></tr> | ||
| + | <tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4at0|4at0]]</td></tr> | ||
| + | <tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/3-oxo-5-alpha-steroid_4-dehydrogenase 3-oxo-5-alpha-steroid 4-dehydrogenase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.3.99.5 1.3.99.5] </span></td></tr> | ||
| + | <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=4at2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4at2 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4at2 RCSB], [http://www.ebi.ac.uk/pdbsum/4at2 PDBsum]</span></td></tr> | ||
| + | </table> | ||
| + | <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> | |
| - | + | == References == | |
| - | + | <references/> | |
| - | == | + | __TOC__ |
| - | + | </StructureSection> | |
[[Category: 3-oxo-5-alpha-steroid 4-dehydrogenase]] | [[Category: 3-oxo-5-alpha-steroid 4-dehydrogenase]] | ||
[[Category: Rhodococcus jostii rha1]] | [[Category: Rhodococcus jostii rha1]] | ||
| - | [[Category: Dijkhuizen, L | + | [[Category: Dijkhuizen, L]] |
| - | [[Category: Dijkstra, B W | + | [[Category: Dijkstra, B W]] |
| - | [[Category: Geize, R Van Der | + | [[Category: Geize, R Van Der]] |
| - | [[Category: Knol, J | + | [[Category: Knol, J]] |
| - | [[Category: Oosterwijk, N Van | + | [[Category: Oosterwijk, N Van]] |
[[Category: Oxidoreductase]] | [[Category: Oxidoreductase]] | ||
[[Category: Steroid catabolism]] | [[Category: Steroid catabolism]] | ||
Revision as of 14:51, 9 December 2014
The crystal structure of 3-ketosteroid-delta4-(5alpha)-dehydrogenase from Rhodococcus jostii RHA1 in complex with 4-androstene-3,17- dione
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