1yfy

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[[Image:1yfy.gif|left|200px]]<br /><applet load="1yfy" size="350" color="white" frame="true" align="right" spinBox="true"
 
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caption="1yfy, resolution 3.20&Aring;" />
 
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'''Crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase from Ralstonia metallidurans complexed with 3-hydroxyanthranilic acid'''<br />
 
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==Overview==
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==Crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase from Ralstonia metallidurans complexed with 3-hydroxyanthranilic acid==
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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='1yfy' size='340' side='right'caption='[[1yfy]], [[Resolution|resolution]] 3.20&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1yfy]] 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=1YFY OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1YFY 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]] 3.2&#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=3HA:3-HYDROXYANTHRANILIC+ACID'>3HA</scene>, <scene name='pdbligand=FE:FE+(III)+ION'>FE</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=1yfy FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1yfy OCA], [https://pdbe.org/1yfy PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1yfy RCSB], [https://www.ebi.ac.uk/pdbsum/1yfy PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1yfy 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/1yfy_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=1yfy 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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1YFY 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 <scene name='pdbligand=FE:'>FE</scene>, <scene name='pdbligand=TRS:'>TRS</scene> and <scene name='pdbligand=3HA:'>3HA</scene> 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://oca.weizmann.ac.il/oca-bin/ocashort?id=1YFY 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: 3HA]]
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[[Category: FE]]
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[[Category: TRS]]
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[[Category: cupin]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 16:05:00 2008''
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Current revision

Crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase from Ralstonia metallidurans complexed with 3-hydroxyanthranilic acid

PDB ID 1yfy

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