5iqt: Difference between revisions
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New page: '''Unreleased structure''' The entry 5iqt is ON HOLD until Paper Publication Authors: Mitchell, A.J., Boal, A.K. Description: Category: Unreleased Structures [[Category: Boal, A.K... |
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==WelO5 bound to Fe(II), Cl, 2-oxoglutarate, and 12-epifischerindole U== | |||
<StructureSection load='5iqt' size='340' side='right'caption='[[5iqt]], [[Resolution|resolution]] 2.40Å' scene=''> | |||
== Structural highlights == | |||
<table><tr><td colspan='2'>[[5iqt]] is a 3 chain structure with sequence from [https://en.wikipedia.org/wiki/Hapalosiphon_welwitschii_UTEX_B_1830 Hapalosiphon welwitschii UTEX B 1830]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5IQT OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5IQT 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]] 2.4Å</td></tr> | |||
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=6CU:(6AS,9R,10R,10AS)-9-ETHYL-10-ISOCYANO-6,6,9-TRIMETHYL-5,6,6A,7,8,9,10,10A-OCTAHYDROINDENO[2,1-B]INDOLE'>6CU</scene>, <scene name='pdbligand=AKG:2-OXOGLUTARIC+ACID'>AKG</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=FE2:FE+(II)+ION'>FE2</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=5iqt FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5iqt OCA], [https://pdbe.org/5iqt PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5iqt RCSB], [https://www.ebi.ac.uk/pdbsum/5iqt PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5iqt ProSAT]</span></td></tr> | |||
</table> | |||
== Function == | |||
[https://www.uniprot.org/uniprot/A0A067YX61_9CYAN A0A067YX61_9CYAN] | |||
<div style="background-color:#fffaf0;"> | |||
== Publication Abstract from PubMed == | |||
A 2.4-A-resolution X-ray crystal structure of the carrier-protein-independent halogenase WelO5 in complex with its welwitindolinone precursor substrate, 12-epi-fischerindole U, reveals that the C13 chlorination target is proximal to the anticipated site of the oxo group in a presumptive cis-halo-oxo-iron(IV) (haloferryl) intermediate. Prior study of related halogenases forecasts substrate hydroxylation in this active-site configuration, but X-ray crystallographic verification of C13 halogenation in single crystals mandates that ligand dynamics must reposition the oxygen ligand to enable the observed outcome. S189A WelO5 produces a mixture of halogenation and hydroxylation products, showing that an outer-sphere hydrogen-bonding group orchestrates ligand movements to achieve a configuration that promotes halogen transfer. | |||
Structural basis for halogenation by iron- and 2-oxo-glutarate-dependent enzyme WelO5.,Mitchell AJ, Zhu Q, Maggiolo AO, Ananth NR, Hillwig ML, Liu X, Boal AK Nat Chem Biol. 2016 Jun 27. doi: 10.1038/nchembio.2112. PMID:27348090<ref>PMID:27348090</ref> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
[[Category: | </div> | ||
[[Category: Boal | <div class="pdbe-citations 5iqt" style="background-color:#fffaf0;"></div> | ||
[[Category: Mitchell | == References == | ||
<references/> | |||
__TOC__ | |||
</StructureSection> | |||
[[Category: Hapalosiphon welwitschii UTEX B 1830]] | |||
[[Category: Large Structures]] | |||
[[Category: Boal AK]] | |||
[[Category: Mitchell AJ]] | |||
Latest revision as of 09:38, 27 September 2023
WelO5 bound to Fe(II), Cl, 2-oxoglutarate, and 12-epifischerindole U
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