1gqh

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[[Image:1gqh.jpg|left|200px]]
 
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{{Structure
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==Quercetin 2,3-dioxygenase in complex with the inhibitor kojic acid==
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|PDB= 1gqh |SIZE=350|CAPTION= <scene name='initialview01'>1gqh</scene>, resolution 2.15&Aring;
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<StructureSection load='1gqh' size='340' side='right'caption='[[1gqh]], [[Resolution|resolution]] 2.15&Aring;' scene=''>
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|SITE= <scene name='pdbsite=KOA:Man+Binding+Site+For+Chain+C'>KOA</scene>
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== Structural highlights ==
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|LIGAND= <scene name='pdbligand=CU:COPPER+(II)+ION'>CU</scene>, <scene name='pdbligand=KOJ:5-HYDROXY-2-(HYDROXYMETHYL)-4H-PYRAN-4-ONE'>KOJ</scene>, <scene name='pdbligand=MAN:ALPHA-D-MANNOSE'>MAN</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>
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<table><tr><td colspan='2'>[[1gqh]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Aspergillus_japonicus Aspergillus japonicus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1GQH OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1GQH FirstGlance]. <br>
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|ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Quercetin_2,3-dioxygenase Quercetin 2,3-dioxygenase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.13.11.24 1.13.11.24] </span>
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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]] 2.15&#8491;</td></tr>
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|GENE=
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CU:COPPER+(II)+ION'>CU</scene>, <scene name='pdbligand=KOJ:5-HYDROXY-2-(HYDROXYMETHYL)-4H-PYRAN-4-ONE'>KOJ</scene>, <scene name='pdbligand=MAN:ALPHA-D-MANNOSE'>MAN</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene></td></tr>
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|DOMAIN=
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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=1gqh FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1gqh OCA], [https://pdbe.org/1gqh PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1gqh RCSB], [https://www.ebi.ac.uk/pdbsum/1gqh PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1gqh ProSAT]</span></td></tr>
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|RELATEDENTRY=
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</table>
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1gqh FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1gqh OCA], [http://www.ebi.ac.uk/pdbsum/1gqh PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1gqh RCSB]</span>
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== Function ==
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}}
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[https://www.uniprot.org/uniprot/QDOI_ASPJA QDOI_ASPJA] Performs the first step in the degradation of the flavonoid quercetin by a dioxygenase reaction. The enzyme catalyzes the cleavage of the O-heteroaromatic ring of the flavonol quercetin yielding the depside 2-protocatechuoyl-phloroglucinol carboxylic acid and carbon monoxide. This involves the remarkable dioxygenolytic cleavage of two carbon-carbon bonds.
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== Evolutionary Conservation ==
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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/gq/1gqh_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=1gqh ConSurf].
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<div style="clear:both"></div>
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'''QUERCETIN 2,3-DIOXYGENASE IN COMPLEX WITH THE INHIBITOR KOJIC ACID'''
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==See Also==
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*[[Dioxygenase 3D structures|Dioxygenase 3D structures]]
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__TOC__
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==Overview==
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</StructureSection>
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The crystal structures of the copper-dependent Aspergillus japonicus quercetin 2,3-dioxygenase (2,3QD) complexed with the inhibitors diethyldithiocarbamate (DDC) and kojic acid (KOJ) are reported at 1.70 and 2.15 A resolution, respectively. Both inhibitors asymmetrically chelate the metal center and assume a common orientation in the active site cleft. Their molecular plane blocks access to the inner portion of the cavity which is lined by the side chains of residues Met51, Thr53, Phe75, Phe114, and Met123 and which is believed to bind the flavonol B-ring of the natural substrate. The binding of the inhibitors brings order into the mixed coordination observed in the native enzyme. DDC and KOJ induce a single conformation of the Glu73 side chain, although in different ways. In the presence of DDC, Glu73 is detached from the copper ion with its carboxylate moiety pointing away from the active site cavity. In contrast, when KOJ is bound, Glu73 ligates the Cu ion through its O(epsilon)(1) atom with a monodentate geometry. Compared to the native coordinating conformation, this conformation is approximately 90 degrees rotated about the chi(3) angle. This latter Glu73 conformation is compatible with the presence of a bound substrate.
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==About this Structure==
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1GQH is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Aspergillus_japonicus Aspergillus japonicus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1GQH OCA].
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==Reference==
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Functional analysis of the copper-dependent quercetin 2,3-dioxygenase. 1. Ligand-induced coordination changes probed by X-ray crystallography: inhibition, ordering effect, and mechanistic insights., Steiner RA, Kooter IM, Dijkstra BW, Biochemistry. 2002 Jun 25;41(25):7955-62. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/12069585 12069585]
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[[Category: Aspergillus japonicus]]
[[Category: Aspergillus japonicus]]
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[[Category: Quercetin 2,3-dioxygenase]]
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[[Category: Large Structures]]
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[[Category: Single protein]]
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[[Category: Dijkstra BW]]
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[[Category: Dijkstra, B W.]]
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[[Category: Steiner RA]]
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[[Category: Steiner, R A.]]
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[[Category: dioxygenase]]
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[[Category: oxidoreductase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 20:49:21 2008''
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Current revision

Quercetin 2,3-dioxygenase in complex with the inhibitor kojic acid

PDB ID 1gqh

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