4bk2: Difference between revisions
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New page: '''Unreleased structure''' The entry 4bk2 is ON HOLD until Paper Publication Authors: Orru, R., Montersino, S., Barendregt, A., Westphal, A.H., van Duijn, E., Mattevi, A., van Berkel, W... |
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==Crystal structure of 3-hydroxybenzoate 6-hydroxylase uncovers lipid- assisted flavoprotein strategy for regioselective aromatic hydroxylation: Q301E mutant== | |||
<StructureSection load='4bk2' size='340' side='right'caption='[[4bk2]], [[Resolution|resolution]] 2.47Å' scene=''> | |||
== Structural highlights == | |||
<table><tr><td colspan='2'>[[4bk2]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Rhodococcus_jostii_RHA1 Rhodococcus jostii RHA1]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4BK2 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4BK2 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]] 2.47Å</td></tr> | |||
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=P3A:PHOSPHATIDYLGLYCEROL-PHOSPHOGLYCEROL'>P3A</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=4bk2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bk2 OCA], [https://pdbe.org/4bk2 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4bk2 RCSB], [https://www.ebi.ac.uk/pdbsum/4bk2 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4bk2 ProSAT]</span></td></tr> | |||
</table> | |||
== Function == | |||
[https://www.uniprot.org/uniprot/Q0SFK6_RHOJR Q0SFK6_RHOJR] | |||
<div style="background-color:#fffaf0;"> | |||
== Publication Abstract from PubMed == | |||
3-Hydroxybenzoate hydroxylase from Rhodococcus jostii RHA1 (3HB6H) is a dimeric flavoprotein that catalyses the NADH- and oxygen-dependent para-hydroxylation of 3 hydroxybenzoate to 2,5-dihydroxybenzoate. In this study, we report the crystal structure of 3HB6H, as expressed in Escherichia coli. The overall fold of 3HB6H is similar to that of p- hydroxybenzoate hydroxylase (PHBH) and other flavoprotein aromatic hydroxylases. Unexpectedly, a lipid ligand is bound to each 3HB6H monomer. Mass spectral analysis identifies the ligand as a mixture of phosphatidylglycerol and phosphatidylethanolamine. The fatty acid chains occupy hydrophobic channels that deeply penetrate into the interior of the substrate-binding domain of each subunit, whereas the hydrophilic part is exposed on the protein surface, connecting the dimerization domains via few interactions. Most remarkably, the terminal part of a phospholipid acyl chain is directly involved in the substrate-binding site. Co-crystallized chloride ion and the crystal structure of the His213Ser variant with bound 3-hydroxybenzoate provide hints about oxygen activation and substrate hydroxylation. Essential roles are played by His213 in catalysis and Tyr105 in substrate binding. This phospholipid-assisted strategy to control regioselective aromatic hydroxylation is of relevance for optimization of flavin-dependent biocatalysts. | |||
Crystal structure of 3-hydroxybenzoate 6-hydroxylase uncovers lipid-assisted flavoprotein strategy for regioselective aromatic hydroxylation.,Montersino S, Orru R, Barendregt A, Westphal AH, van Duijn E, Mattevi A, van Berkel WJ J Biol Chem. 2013 Jul 17. PMID:23864660<ref>PMID:23864660</ref> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
</div> | |||
<div class="pdbe-citations 4bk2" style="background-color:#fffaf0;"></div> | |||
== References == | |||
<references/> | |||
__TOC__ | |||
</StructureSection> | |||
[[Category: Large Structures]] | |||
[[Category: Rhodococcus jostii RHA1]] | |||
[[Category: Barendregt A]] | |||
[[Category: Mattevi A]] | |||
[[Category: Montersino S]] | |||
[[Category: Orru R]] | |||
[[Category: Westphal AH]] | |||
[[Category: Van Berkel WJH]] | |||
[[Category: Van Duijn E]] | |||
Latest revision as of 11:52, 20 December 2023
Crystal structure of 3-hydroxybenzoate 6-hydroxylase uncovers lipid- assisted flavoprotein strategy for regioselective aromatic hydroxylation: Q301E mutant
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