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[[Image:3bb0.jpg|left|200px]]
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{{STRUCTURE_3bb0|  PDB=3bb0  |  SCENE=  }}
'''Crystal Structure of a Trapped Phosphate-Intermediate in Vanadium Apochloroperoxidase Catalyzing a Dephosphorylation Reaction'''


==Crystal Structure of a Trapped Phosphate-Intermediate in Vanadium Apochloroperoxidase Catalyzing a Dephosphorylation Reaction==
<StructureSection load='3bb0' size='340' side='right'caption='[[3bb0]], [[Resolution|resolution]] 1.50&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[3bb0]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Curvularia_inaequalis Curvularia inaequalis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3BB0 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3BB0 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]] 1.5&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CSO:S-HYDROXYCYSTEINE'>CSO</scene>, <scene name='pdbligand=PO3:PHOSPHITE+ION'>PO3</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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=3bb0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3bb0 OCA], [https://pdbe.org/3bb0 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3bb0 RCSB], [https://www.ebi.ac.uk/pdbsum/3bb0 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3bb0 ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/PRXC_CURIN PRXC_CURIN]
== 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/bb/3bb0_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=3bb0 ConSurf].
<div style="clear:both"></div>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
The crystal structure of the apo form of vanadium chloroperoxidase from Curvularia inaequalis reacted with para-nitrophenylphosphate was determined at a resolution of 1.5 A. The aim of this study was to solve structural details of the dephosphorylation reaction catalyzed by this enzyme. Since the chloroperoxidase is functionally and evolutionary related to several acid phosphatases including human glucose-6-phosphatase and a group of membrane-bound lipid phosphatases, the structure sheds light on the details of the dephosphorylation catalyzed by these enzymes as well. The trapped intermediate found is bound to the active site as a metaphosphate anion PO3-, with its phosphorus atom covalently attached to the Nepsilon2 atom of His496. An apical water molecule is within hydrogen-bonding distance to the phosphorus atom of the metaphosphate, and it is in a perfect position for a nucleophilic attack on the metaphosphate-histidine intermediate to form the inorganic phosphate. This is, to our knowledge, the first structural characterization of a real reaction intermediate of the inorganic phosphate group release in a dephosphorylation reaction.


==Overview==
Crystal structure of a trapped phosphate intermediate in vanadium apochloroperoxidase catalyzing a dephosphorylation reaction.,Macedo-Ribeiro S, Renirie R, Wever R, Messerschmidt A Biochemistry. 2008 Jan 22;47(3):929-34. Epub 2007 Dec 29. PMID:18163651<ref>PMID:18163651</ref>
The crystal structure of the apo form of vanadium chloroperoxidase from Curvularia inaequalis reacted with para-nitrophenylphosphate was determined at a resolution of 1.5 A. The aim of this study was to solve structural details of the dephosphorylation reaction catalyzed by this enzyme. Since the chloroperoxidase is functionally and evolutionary related to several acid phosphatases including human glucose-6-phosphatase and a group of membrane-bound lipid phosphatases, the structure sheds light on the details of the dephosphorylation catalyzed by these enzymes as well. The trapped intermediate found is bound to the active site as a metaphosphate anion PO3-, with its phosphorus atom covalently attached to the Nepsilon2 atom of His496. An apical water molecule is within hydrogen-bonding distance to the phosphorus atom of the metaphosphate, and it is in a perfect position for a nucleophilic attack on the metaphosphate-histidine intermediate to form the inorganic phosphate. This is, to our knowledge, the first structural characterization of a real reaction intermediate of the inorganic phosphate group release in a dephosphorylation reaction.


==About this Structure==
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
3BB0 is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Curvularia_inaequalis Curvularia inaequalis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3BB0 OCA].
</div>
<div class="pdbe-citations 3bb0" style="background-color:#fffaf0;"></div>


==Reference==
==See Also==
Crystal structure of a trapped phosphate intermediate in vanadium apochloroperoxidase catalyzing a dephosphorylation reaction., de Macedo-Ribeiro S, Renirie R, Wever R, Messerschmidt A, Biochemistry. 2008 Jan 22;47(3):929-34. Epub 2007 Dec 29. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/18163651 18163651]
*[[Haloperoxidase|Haloperoxidase]]
[[Category: Chloride peroxidase]]
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Curvularia inaequalis]]
[[Category: Curvularia inaequalis]]
[[Category: Single protein]]
[[Category: Large Structures]]
[[Category: Macedo-Ribeiro, S.]]
[[Category: Macedo-Ribeiro S]]
[[Category: Messerschmidt, A.]]
[[Category: Messerschmidt A]]
[[Category: Chloride]]
[[Category: Metal-binding]]
[[Category: Oxidoreductase]]
[[Category: Peroxidase]]
[[Category: Phospatase activity]]
[[Category: Protein phosphate-intermediate complex]]
[[Category: Secreted]]
[[Category: Vanadium]]
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May  4 20:35:37 2008''

Latest revision as of 01:37, 21 November 2024

Crystal Structure of a Trapped Phosphate-Intermediate in Vanadium Apochloroperoxidase Catalyzing a Dephosphorylation Reaction

3bb0, resolution 1.50Å

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