View source for 4bk1


==Crystal structure of 3-hydroxybenzoate 6-hydroxylase uncovers lipid- assisted flavoprotein strategy for regioselective aromatic hydroxylation: H213S mutant in complex with 3-hydroxybenzoate==
<StructureSection load='4bk1' size='340' side='right'caption='[[4bk1]], [[Resolution|resolution]] 1.73&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[4bk1]] 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=4BK1 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4BK1 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]] 1.73&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=3HB:3-HYDROXYBENZOIC+ACID'>3HB</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <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=4bk1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bk1 OCA], [https://pdbe.org/4bk1 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4bk1 RCSB], [https://www.ebi.ac.uk/pdbsum/4bk1 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4bk1 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&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 4bk1" 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]]