7szf
From Proteopedia
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==Structure of the Rieske Non-heme Iron Oxygenase GxtA with beta-Saxitoxinol Bound== | ==Structure of the Rieske Non-heme Iron Oxygenase GxtA with beta-Saxitoxinol Bound== | ||
| - | <StructureSection load='7szf' size='340' side='right'caption='[[7szf]]' scene=''> | + | <StructureSection load='7szf' size='340' side='right'caption='[[7szf]], [[Resolution|resolution]] 1.79Å' scene=''> |
== Structural highlights == | == Structural highlights == | ||
| - | <table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7SZF OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7SZF FirstGlance]. <br> | + | <table><tr><td colspan='2'>[[7szf]] is a 3 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7SZF OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7SZF FirstGlance]. <br> |
| - | </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=7szf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7szf OCA], [https://pdbe.org/7szf PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7szf RCSB], [https://www.ebi.ac.uk/pdbsum/7szf PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7szf ProSAT]</span></td></tr> | + | </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=D82:beta-Saxitoxinol'>D82</scene>, <scene name='pdbligand=FE:FE+(III)+ION'>FE</scene>, <scene name='pdbligand=FES:FE2/S2+(INORGANIC)+CLUSTER'>FES</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=7szf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7szf OCA], [https://pdbe.org/7szf PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7szf RCSB], [https://www.ebi.ac.uk/pdbsum/7szf PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7szf ProSAT]</span></td></tr> | ||
</table> | </table> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | Rieske oxygenases exploit the reactivity of iron to perform chemically challenging C-H bond functionalization reactions. Thus far, only a handful of Rieske oxygenases have been structurally characterized and remarkably little information exists regarding how these enzymes use a common architecture and set of metallocenters to facilitate a diverse range of reactions. Herein, we detail how two Rieske oxygenases SxtT and GxtA use different protein regions to influence the site-selectivity of their catalyzed monohydroxylation reactions. We present high resolution crystal structures of SxtT and GxtA with the native beta-saxitoxinol and saxitoxin substrates bound in addition to a Xenon-pressurized structure of GxtA that reveals the location of a substrate access tunnel to the active site. Ultimately, this structural information allowed for the identification of six residues distributed between three regions of SxtT that together control the selectivity of the C-H hydroxylation event. Substitution of these residues produces a SxtT variant that is fully adapted to exhibit the non-native site-selectivity and substrate scope of GxtA. Importantly, we also found that these selectivity regions are conserved in other structurally characterized Rieske oxygenases, providing a framework for predictively repurposing and manipulating Rieske oxygenases as biocatalysts. | ||
| + | |||
| + | Design principles for site-selective hydroxylation by a Rieske oxygenase.,Liu J, Tian J, Perry C, Lukowski AL, Doukov TI, Narayan ARH, Bridwell-Rabb J Nat Commun. 2022 Jan 11;13(1):255. doi: 10.1038/s41467-021-27822-3. PMID:35017498<ref>PMID:35017498</ref> | ||
| + | |||
| + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | ||
| + | </div> | ||
| + | <div class="pdbe-citations 7szf" style="background-color:#fffaf0;"></div> | ||
| + | == References == | ||
| + | <references/> | ||
__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
[[Category: Large Structures]] | [[Category: Large Structures]] | ||
| - | [[Category: Bridwell-Rabb J]] | + | [[Category: Bridwell-Rabb, J]] |
| - | [[Category: Liu J]] | + | [[Category: Liu, J]] |
| + | [[Category: Biosynthetic protein]] | ||
| + | [[Category: Saxitoxin gxta rieske oxygenase metalloprotein iron-sulfur cluster non-heme iron]] | ||
Revision as of 07:14, 27 January 2022
Structure of the Rieske Non-heme Iron Oxygenase GxtA with beta-Saxitoxinol Bound
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