5iqt

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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=5iqt FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5iqt OCA], [http://pdbe.org/5iqt PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5iqt RCSB], [http://www.ebi.ac.uk/pdbsum/5iqt PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5iqt ProSAT]</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=5iqt FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5iqt OCA], [http://pdbe.org/5iqt PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5iqt RCSB], [http://www.ebi.ac.uk/pdbsum/5iqt PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5iqt ProSAT]</span></td></tr>
</table>
</table>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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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.
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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>
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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 5iqt" style="background-color:#fffaf0;"></div>
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== References ==
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<references/>
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</StructureSection>
</StructureSection>

Revision as of 10:25, 13 July 2016

WelO5 bound to Fe(II), Cl, 2-oxoglutarate, and 12-epifischerindole U

5iqt, resolution 2.40Å

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