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1yfx

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(New page: 200px<br /><applet load="1yfx" size="450" color="white" frame="true" align="right" spinBox="true" caption="1yfx, resolution 2.00&Aring;" /> '''Crystal structure of...)
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[[Image:1yfx.gif|left|200px]]<br /><applet load="1yfx" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="1yfx, resolution 2.00&Aring;" />
 
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'''Crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase from Ralstonia metallidurans complexed with 4-chloro-3-hydroxyanthranilic acid and NO'''<br />
 
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==Overview==
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==Crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase from Ralstonia metallidurans complexed with 4-chloro-3-hydroxyanthranilic acid and NO==
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3-Hydroxyanthranilate-3,4-dioxygenase (HAD) catalyzes the oxidative ring, opening of 3-hydroxyanthranilate in the final enzymatic step of the, biosynthetic pathway from tryptophan to quinolinate, the universal de novo, precursor to the pyridine ring of nicotinamide adenine dinucleotide. The, enzyme requires Fe2+ as a cofactor and is inactivated by, 4-chloro-3-hydroxyanthranilate. HAD from Ralstonia metallidurans was, crystallized, and the structure was determined at 1.9 A resolution. The, structures of HAD complexed with the inhibitor, 4-chloro-3-hydroxyanthranilic acid and either molecular oxygen or nitric, oxide were determined at 2.0 A resolution, and the structure of HAD, complexed with 3-hydroxyanthranilate was determined at 3.2 A resolution., HAD is a homodimer with a subunit topology that is characteristic of the, cupin barrel fold. Each monomer contains two iron binding sites. The, catalytic iron is buried deep inside the beta-barrel with His51, Glu57, and His95 serving as ligands. The other iron site forms an FeS4 center, close to the solvent surface in which the sulfur atoms are provided by, Cys125, Cys128, Cys162, and Cys165. The two iron sites are separated by 24, A. On the basis of the crystal structures of HAD, mutagenesis studies were, carried out in order to elucidate the enzyme mechanism. In addition, a new, mechanism for the enzyme inactivation by 4-chloro-3-hydroxyanthranilate is, proposed.
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<StructureSection load='1yfx' size='340' side='right'caption='[[1yfx]], [[Resolution|resolution]] 2.00&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1yfx]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Cupriavidus_metallidurans Cupriavidus metallidurans]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1YFX OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1YFX 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]] 2&#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=4AA:4-CHLORO-3-HYDROXYANTHRANILIC+ACID'>4AA</scene>, <scene name='pdbligand=FE:FE+(III)+ION'>FE</scene>, <scene name='pdbligand=NO:NITRIC+OXIDE'>NO</scene>, <scene name='pdbligand=TRS:2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL'>TRS</scene></td></tr>
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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=1yfx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1yfx OCA], [https://pdbe.org/1yfx PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1yfx RCSB], [https://www.ebi.ac.uk/pdbsum/1yfx PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1yfx ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/3HAO_CUPMC 3HAO_CUPMC] Catalyzes the oxidative ring opening of 3-hydroxyanthranilate to 2-amino-3-carboxymuconate semialdehyde, which spontaneously cyclizes to quinolinate.[HAMAP-Rule:MF_00825]<ref>PMID:15909977</ref>
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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/yf/1yfx_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=1yfx ConSurf].
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<div style="clear:both"></div>
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==About this Structure==
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==See Also==
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1YFX is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Cupriavidus_metallidurans Cupriavidus metallidurans] with FE, NO, TRS and 4AA as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/3-hydroxyanthranilate_3,4-dioxygenase 3-hydroxyanthranilate 3,4-dioxygenase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.13.11.6 1.13.11.6] Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1YFX OCA].
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*[[Dioxygenase 3D structures|Dioxygenase 3D structures]]
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== References ==
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==Reference==
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<references/>
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Structural studies on 3-hydroxyanthranilate-3,4-dioxygenase: the catalytic mechanism of a complex oxidation involved in NAD biosynthesis., Zhang Y, Colabroy KL, Begley TP, Ealick SE, Biochemistry. 2005 May 31;44(21):7632-43. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=15909978 15909978]
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__TOC__
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[[Category: 3-hydroxyanthranilate 3,4-dioxygenase]]
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</StructureSection>
[[Category: Cupriavidus metallidurans]]
[[Category: Cupriavidus metallidurans]]
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[[Category: Single protein]]
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[[Category: Large Structures]]
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[[Category: Begley, T.P.]]
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[[Category: Begley TP]]
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[[Category: Colabroy, K.L.]]
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[[Category: Colabroy KL]]
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[[Category: Ealick, S.E.]]
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[[Category: Ealick SE]]
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[[Category: Zhang, Y.]]
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[[Category: Zhang Y]]
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[[Category: 4AA]]
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[[Category: FE]]
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[[Category: NO]]
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[[Category: TRS]]
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[[Category: cupin]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Wed Nov 21 06:44:54 2007''
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Current revision

Crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase from Ralstonia metallidurans complexed with 4-chloro-3-hydroxyanthranilic acid and NO

PDB ID 1yfx

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