2yyj

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[[Image:2yyj.jpg|left|200px]]
 
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==Crystal structure of the oxygenase component (HpaB) of 4-hydroxyphenylacetate 3-monooxygenase complexed with FAD and 4-hydroxyphenylacetate==
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The line below this paragraph, containing "STRUCTURE_2yyj", creates the "Structure Box" on the page.
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<StructureSection load='2yyj' size='340' side='right'caption='[[2yyj]], [[Resolution|resolution]] 1.66&Aring;' scene=''>
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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== Structural highlights ==
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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<table><tr><td colspan='2'>[[2yyj]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Thermus_thermophilus_HB8 Thermus thermophilus HB8]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2YYJ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2YYJ FirstGlance]. <br>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.66&#8491;</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=4HP:4-HYDROXYPHENYLACETATE'>4HP</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
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{{STRUCTURE_2yyj| PDB=2yyj | SCENE= }}
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=2yyj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2yyj OCA], [https://pdbe.org/2yyj PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2yyj RCSB], [https://www.ebi.ac.uk/pdbsum/2yyj PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2yyj ProSAT]</span></td></tr>
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</table>
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'''Crystal structure of the oxygenase component (HpaB) of 4-hydroxyphenylacetate 3-monooxygenase complexed with FAD and 4-hydroxyphenylacetate'''
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== Function ==
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[https://www.uniprot.org/uniprot/HPAB_THET8 HPAB_THET8] Utilizes FADH(2) supplied by HpaC, to catalyze the hydroxylation of 4-hydroxyphenylacetic acid, leading to the production of 3,4-dihydroxyphenylacetic acid (DHPA).<ref>PMID:17804419</ref>
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== Evolutionary Conservation ==
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==Overview==
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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<jmolCheckbox>
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/yy/2yyj_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
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<text>to colour the structure by Evolutionary Conservation</text>
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</jmolCheckbox>
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</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=2yyj ConSurf].
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<div style="clear:both"></div>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
The 4-hydroxyphenylacetate (4HPA) 3-monooxygenase is involved in the initial step of the 4HPA degradation pathway and catalyzes 4HPA hydroxylation to 3,4-dihydroxyphenylacetate. This enzyme consists of two components, an oxygenase (HpaB) and a reductase (HpaC). To understand the structural basis of the catalytic mechanism of HpaB, crystal structures of HpaB from Thermus thermophilus HB8 were determined in three states: a ligand-free form, a binary complex with FAD, and a ternary complex with FAD and 4HPA. Structural analysis revealed that the binding and dissociation of flavin are accompanied by conformational changes of the loop between beta5 and beta6 and of the loop between beta8 and beta9, leading to preformation of part of the substrate-binding site (Ser-197 and Thr-198). The latter loop further changes its conformation upon binding of 4HPA and obstructs the active site from the bulk solvent. Arg-100 is located adjacent to the putative oxygen-binding site and may be involved in the formation and stabilization of the C4a-hydroperoxyflavin intermediate.
The 4-hydroxyphenylacetate (4HPA) 3-monooxygenase is involved in the initial step of the 4HPA degradation pathway and catalyzes 4HPA hydroxylation to 3,4-dihydroxyphenylacetate. This enzyme consists of two components, an oxygenase (HpaB) and a reductase (HpaC). To understand the structural basis of the catalytic mechanism of HpaB, crystal structures of HpaB from Thermus thermophilus HB8 were determined in three states: a ligand-free form, a binary complex with FAD, and a ternary complex with FAD and 4HPA. Structural analysis revealed that the binding and dissociation of flavin are accompanied by conformational changes of the loop between beta5 and beta6 and of the loop between beta8 and beta9, leading to preformation of part of the substrate-binding site (Ser-197 and Thr-198). The latter loop further changes its conformation upon binding of 4HPA and obstructs the active site from the bulk solvent. Arg-100 is located adjacent to the putative oxygen-binding site and may be involved in the formation and stabilization of the C4a-hydroperoxyflavin intermediate.
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==About this Structure==
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Crystal structure of the oxygenase component (HpaB) of the 4-hydroxyphenylacetate 3-monooxygenase from Thermus thermophilus HB8.,Kim SH, Hisano T, Takeda K, Iwasaki W, Ebihara A, Miki K J Biol Chem. 2007 Nov 9;282(45):33107-17. Epub 2007 Sep 5. PMID:17804419<ref>PMID:17804419</ref>
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2YYJ is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Thermus_thermophilus Thermus thermophilus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2YYJ OCA].
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==Reference==
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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Crystal structure of the oxygenase component (HpaB) of the 4-hydroxyphenylacetate 3-monooxygenase from Thermus thermophilus HB8., Kim SH, Hisano T, Takeda K, Iwasaki W, Ebihara A, Miki K, J Biol Chem. 2007 Nov 9;282(45):33107-17. Epub 2007 Sep 5. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/17804419 17804419]
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</div>
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[[Category: 4-hydroxyphenylacetate 3-monooxygenase]]
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<div class="pdbe-citations 2yyj" style="background-color:#fffaf0;"></div>
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[[Category: Single protein]]
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== References ==
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[[Category: Thermus thermophilus]]
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<references/>
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[[Category: Ebihara, A.]]
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__TOC__
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[[Category: Hisano, T.]]
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</StructureSection>
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[[Category: Iwasaki, W.]]
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[[Category: Large Structures]]
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[[Category: Kim, S H.]]
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[[Category: Thermus thermophilus HB8]]
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[[Category: Miki, K.]]
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[[Category: Ebihara A]]
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[[Category: Takeda, K.]]
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[[Category: Hisano T]]
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[[Category: Fad and a substrate complex]]
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[[Category: Iwasaki W]]
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[[Category: Oxidoreductase]]
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[[Category: Kim S-H]]
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[[Category: Oxygnase component]]
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[[Category: Miki K]]
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[[Category: Riken spring-8 center]]
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[[Category: Takeda K]]
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[[Category: Structurome]]
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[[Category: Two-component flavin diffusible monooxygenase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 19:41:59 2008''
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Current revision

Crystal structure of the oxygenase component (HpaB) of 4-hydroxyphenylacetate 3-monooxygenase complexed with FAD and 4-hydroxyphenylacetate

PDB ID 2yyj

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