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==Crystal structure of dehaloperoxidase B in complex with 2,6-dichlorophenol==
==Crystal structure of dehaloperoxidase B in complex with 2,6-dichlorophenol==
<StructureSection load='7m1i' size='340' side='right'caption='[[7m1i]]' scene=''>
<StructureSection load='7m1i' size='340' side='right'caption='[[7m1i]], [[Resolution|resolution]] 1.66&Aring;' 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=7M1I OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7M1I FirstGlance]. <br>
<table><tr><td colspan='2'>[[7m1i]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7M1I OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7M1I 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=7m1i FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7m1i OCA], [https://pdbe.org/7m1i PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7m1i RCSB], [https://www.ebi.ac.uk/pdbsum/7m1i PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7m1i 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=DUB:2,6-dichlorophenol'>DUB</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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=7m1i FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7m1i OCA], [https://pdbe.org/7m1i PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7m1i RCSB], [https://www.ebi.ac.uk/pdbsum/7m1i PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7m1i ProSAT]</span></td></tr>
</table>
</table>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
The multifunctional catalytic globin dehaloperoxidase (DHP) from the marine worm Amphitrite ornata was shown to catalyze the H2O2-dependent oxidation of 2,4- and 2,6-dihalophenols (DXP; X = F, Cl, Br). Product identification by LC-MS revealed multiple monomeric products with varying degrees of oxidation and/or dehalogenation, as well as oligomers with n up to 6. Mechanistic and (18)O-labeling studies demonstrated sequential dihalophenol oxidation via peroxidase and peroxygenase activities. Binding studies established that 2,4-DXP (X = Cl, Br) have the highest affinities of any known DHP substrate. X-ray crystallography identified different binding positions for 2,4- and 2,6-DXP substrates in the hydrophobic distal pocket of DHP. Correlation between the number of halogens and the substrate binding orientation revealed a halogen-dependent binding motif for mono- (4-halophenol), di- (2,4- and 2,6-dihalophenol) and trihalophenols (2,4,6-trihalopenol). Taken together, the findings here on dihalophenol reactivity with DHP advance our understanding of how these compounds bridge the inhibitory and oxidative functions of their mono- and trihalophenol counterparts, respectively, and provide further insight into the protein structure-function paradigm relevant to multifunctional catalytic globins in comparison to their monofunctional analogs.
Bridging the functional gap between reactivity and inhibition in dehaloperoxidase B from Amphitrite ornata: Mechanistic and structural studies with 2,4- and 2,6-dihalophenols.,Malewschik T, Carey LM, de Serrano V, Ghiladi RA J Inorg Biochem. 2022 Jul 25;236:111944. doi: 10.1016/j.jinorgbio.2022.111944. PMID:35969974<ref>PMID:35969974</ref>
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 7m1i" style="background-color:#fffaf0;"></div>
== References ==
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
[[Category: Large Structures]]
[[Category: Large Structures]]
[[Category: Ghiladi RA]]
[[Category: Ghiladi, R A]]
[[Category: Malewschik T]]
[[Category: Malewschik, T]]
[[Category: De Serrano VS]]
[[Category: Serrano, V S.de]]
[[Category: Heme cofactor]]
[[Category: Heme peroxidase]]
[[Category: Oxidoreductase]]
[[Category: Oxygen binding]]
[[Category: Peroxygenase]]
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