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==Catabolic reductive dehalogenase NpRdhA, N-terminally tagged in complex with 3-bromo-4-hydroxybenzoic acid==
==Catabolic reductive dehalogenase NpRdhA, N-terminally tagged in complex with 3-bromo-4-hydroxybenzoic acid==
<StructureSection load='6zy1' size='340' side='right'caption='[[6zy1]]' scene=''>
<StructureSection load='6zy1' size='340' side='right'caption='[[6zy1]], [[Resolution|resolution]] 1.99&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=6ZY1 OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6ZY1 FirstGlance]. <br>
<table><tr><td colspan='2'>[[6zy1]] is a 3 chain structure with sequence from [https://en.wikipedia.org/wiki/Nitratireductor_pacificus_pht-3B Nitratireductor pacificus pht-3B]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6ZY1 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6ZY1 FirstGlance]. <br>
</td></tr><tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=6zy1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6zy1 OCA], [http://pdbe.org/6zy1 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6zy1 RCSB], [http://www.ebi.ac.uk/pdbsum/6zy1 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6zy1 ProSAT]</span></td></tr>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.99&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=B12:COBALAMIN'>B12</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=QSB:3+bromo+4+hydroxybenzoic+acid'>QSB</scene>, <scene name='pdbligand=SF4:IRON/SULFUR+CLUSTER'>SF4</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=6zy1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6zy1 OCA], [https://pdbe.org/6zy1 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6zy1 RCSB], [https://www.ebi.ac.uk/pdbsum/6zy1 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6zy1 ProSAT]</span></td></tr>
</table>
</table>
== Function ==
[https://www.uniprot.org/uniprot/K2MB66_9HYPH K2MB66_9HYPH]
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
Reductive dehalogenases are responsible for the reductive cleavage of carbon-halogen bonds during organohalide respiration. A variety of mechanisms have been proposed for these cobalamin and [4Fe-4S] containing enzymes, including organocobalt, radical, or cobalt-halide adduct based catalysis. The latter was proposed for the oxygen-tolerant Nitratireductor pacificus pht-3B catabolic reductive dehalogenase (NpRdhA). Here, we present the first substrate bound NpRdhA crystal structures, confirming a direct cobalt-halogen interaction is established and providing a rationale for substrate preference. Product formation is observed in crystallo due to X-ray photoreduction. Protein engineering enables rational alteration of substrate preference, providing a future blue print for the application of this and related enzymes in bioremediation.
Catabolic Reductive Dehalogenase Substrate Complex Structures Underpin Rational Repurposing of Substrate Scope.,Halliwell T, Fisher K, Payne KAP, Rigby SEJ, Leys D Microorganisms. 2020 Sep 2;8(9). pii: microorganisms8091344. doi:, 10.3390/microorganisms8091344. PMID:32887524<ref>PMID:32887524</ref>
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 6zy1" style="background-color:#fffaf0;"></div>
== References ==
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
[[Category: Large Structures]]
[[Category: Large Structures]]
[[Category: Nitratireductor pacificus pht-3B]]
[[Category: Halliwell T]]
[[Category: Halliwell T]]
[[Category: Leys D]]
[[Category: Leys D]]

Revision as of 12:00, 1 February 2024

Catabolic reductive dehalogenase NpRdhA, N-terminally tagged in complex with 3-bromo-4-hydroxybenzoic acid

6zy1, resolution 1.99Å

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