1pby: Difference between revisions

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New page: left|200px<br /><applet load="1pby" size="450" color="white" frame="true" align="right" spinBox="true" caption="1pby, resolution 1.70Å" /> '''Structure of the Phe...
 
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[[Image:1pby.gif|left|200px]]<br /><applet load="1pby" size="450" color="white" frame="true" align="right" spinBox="true"
caption="1pby, resolution 1.70&Aring;" />
'''Structure of the Phenylhydrazine Adduct of the Quinohemoprotein Amine Dehydrogenase from Paracoccus denitrificans at 1.7 A Resolution'''<br />


==Overview==
==Structure of the Phenylhydrazine Adduct of the Quinohemoprotein Amine Dehydrogenase from Paracoccus denitrificans at 1.7 A Resolution==
The 109 kDa quinohemoprotein amine dehydrogenase (QHNDH) from Paracoccus, denitrificans contains a novel redox cofactor, cysteine tryptophylquinone, (CTQ). This cofactor is derived from a pair of gene-encoded amino acids by, post-translational modification and was previously identified and, characterized within an 82-residue subunit by chemical methods and, crystallographic analysis at 2.05 A resolution. It contains an, orthoquinone moiety bound to the indole ring and catalyzes the oxidation, of aliphatic and aromatic amines through formation of a Schiff-base, intermediate involving one of the quinone O atoms. This paper reports the, structural analysis of the complex of QHNDH with the enzyme inhibitor, phenylhydrazine determined at 1.70 A resolution. The phenylhydrazone, product is attached to the C6 position, identifying the O6 atom of CTQ as, the site of Schiff-base formation as postulated by analogy to another, amine-oxidizing enzyme, methylamine dehydrogenase. Furthermore, the inner, N atom closest to the phenyl ring of phenylhydrazine forms a hydrogen bond, to gammaAsp33 in the complex, lending support to the hypothesis that this, residue serves as the active-site base for proton abstraction during, catalysis.
<StructureSection load='1pby' size='340' side='right'caption='[[1pby]], [[Resolution|resolution]] 1.70&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[1pby]] is a 3 chain structure with sequence from [https://en.wikipedia.org/wiki/Paracoccus_denitrificans Paracoccus denitrificans]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1PBY OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1PBY 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]] 1.7&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=HEC:HEME+C'>HEC</scene>, <scene name='pdbligand=TBU:TERTIARY-BUTYL+ALCOHOL'>TBU</scene>, <scene name='pdbligand=TRW:TRW3-(2-AMINO-3-HYDROXY-PROPYL)-6-(N-CYCLOHEXYL-HYDRAZINO)OCTAHYDRO-INDOL-7-OL'>TRW</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=1pby FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1pby OCA], [https://pdbe.org/1pby PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1pby RCSB], [https://www.ebi.ac.uk/pdbsum/1pby PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1pby ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/Q8VUT0_PARDE Q8VUT0_PARDE]
== Evolutionary Conservation ==
[[Image:Consurf_key_small.gif|200px|right]]
Check<jmol>
  <jmolCheckbox>
    <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/pb/1pby_consurf.spt"</scriptWhenChecked>
    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview03.spt</scriptWhenUnchecked>
    <text>to colour the structure by Evolutionary Conservation</text>
  </jmolCheckbox>
</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=1pby ConSurf].
<div style="clear:both"></div>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
The 109 kDa quinohemoprotein amine dehydrogenase (QHNDH) from Paracoccus denitrificans contains a novel redox cofactor, cysteine tryptophylquinone (CTQ). This cofactor is derived from a pair of gene-encoded amino acids by post-translational modification and was previously identified and characterized within an 82-residue subunit by chemical methods and crystallographic analysis at 2.05 A resolution. It contains an orthoquinone moiety bound to the indole ring and catalyzes the oxidation of aliphatic and aromatic amines through formation of a Schiff-base intermediate involving one of the quinone O atoms. This paper reports the structural analysis of the complex of QHNDH with the enzyme inhibitor phenylhydrazine determined at 1.70 A resolution. The phenylhydrazone product is attached to the C6 position, identifying the O6 atom of CTQ as the site of Schiff-base formation as postulated by analogy to another amine-oxidizing enzyme, methylamine dehydrogenase. Furthermore, the inner N atom closest to the phenyl ring of phenylhydrazine forms a hydrogen bond to gammaAsp33 in the complex, lending support to the hypothesis that this residue serves as the active-site base for proton abstraction during catalysis.


==About this Structure==
Structure of the phenylhydrazine adduct of the quinohemoprotein amine dehydrogenase from Paracoccus denitrificans at 1.7 A resolution.,Datta S, Ikeda T, Kano K, Mathews FS Acta Crystallogr D Biol Crystallogr. 2003 Sep;59(Pt 9):1551-6. Epub 2003, Aug 19. PMID:12925784<ref>PMID:12925784</ref>
1PBY is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/Paracoccus_denitrificans Paracoccus denitrificans] with HEM and TBU as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Amine_dehydrogenase Amine dehydrogenase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.4.99.3 1.4.99.3] Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1PBY OCA].


==Reference==
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
Structure of the phenylhydrazine adduct of the quinohemoprotein amine dehydrogenase from Paracoccus denitrificans at 1.7 A resolution., Datta S, Ikeda T, Kano K, Mathews FS, Acta Crystallogr D Biol Crystallogr. 2003 Sep;59(Pt 9):1551-6. Epub 2003, Aug 19. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=12925784 12925784]
</div>
[[Category: Amine dehydrogenase]]
<div class="pdbe-citations 1pby" style="background-color:#fffaf0;"></div>
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Large Structures]]
[[Category: Paracoccus denitrificans]]
[[Category: Paracoccus denitrificans]]
[[Category: Protein complex]]
[[Category: Datta S]]
[[Category: Datta, S.]]
[[Category: Ikeda T]]
[[Category: Ikeda, T.]]
[[Category: Kano K]]
[[Category: Kano, K.]]
[[Category: Mathews FS]]
[[Category: Mathews, F.S.]]
[[Category: HEM]]
[[Category: TBU]]
[[Category: amine dehydrogenase]]
[[Category: quinohemoprotein]]
 
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Latest revision as of 06:54, 13 August 2026

Structure of the Phenylhydrazine Adduct of the Quinohemoprotein Amine Dehydrogenase from Paracoccus denitrificans at 1.7 A Resolution

1pby, resolution 1.70Å

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