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[[Image:2cfa.gif|left|200px]]<br />
<applet load="2cfa" size="450" color="white" frame="true" align="right" spinBox="true"
caption="2cfa, resolution 2.30&Aring;" />
'''STRUCTURE OF VIRAL FLAVIN-DEPENDANT THYMIDYLATE SYNTHASE THYX'''<br />


==Overview==
==Structure of viral flavin-dependant thymidylate synthase ThyX==
By using biochemical and structural analyses, we have investigated the, catalytic mechanism of the recently discovered flavin-dependent, thymidylate synthase ThyX from Paramecium bursaria chlorella virus-1, (PBCV-1). Site-directed mutagenesis experiments have identified several, residues implicated in either NADPH oxidation or deprotonation activity of, PBCV-1 ThyX. Chemical modification by diethyl pyrocarbonate and mass, spectroscopic analyses identified a histidine residue (His53) crucial for, NADPH oxidation and located in the vicinity of the redox active N-5 atom, of the FAD ring system. Moreover, we observed that the conformation of, active site key residues of PBCV-1 ThyX differs from earlier reported ThyX, structures, suggesting structural changes during catalysis. Steady-state, ... [[http://ispc.weizmann.ac.il/pmbin/getpm?16707489 (full description)]]
<StructureSection load='2cfa' size='340' side='right'caption='[[2cfa]], [[Resolution|resolution]] 2.30&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[2cfa]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Paramecium_bursaria_Chlorella_virus_1 Paramecium bursaria Chlorella virus 1]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2CFA OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2CFA 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]] 2.3&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CME:S,S-(2-HYDROXYETHYL)THIOCYSTEINE'>CME</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</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=2cfa FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2cfa OCA], [https://pdbe.org/2cfa PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2cfa RCSB], [https://www.ebi.ac.uk/pdbsum/2cfa PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2cfa ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/THYX_PBCV1 THYX_PBCV1] Catalyzes the formation of dTMP and tetrahydrofolate from dUMP and methylenetetrahydrofolate (By similarity).
== 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/cf/2cfa_consurf.spt"</scriptWhenChecked>
    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.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=2cfa ConSurf].
<div style="clear:both"></div>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
By using biochemical and structural analyses, we have investigated the catalytic mechanism of the recently discovered flavin-dependent thymidylate synthase ThyX from Paramecium bursaria chlorella virus-1 (PBCV-1). Site-directed mutagenesis experiments have identified several residues implicated in either NADPH oxidation or deprotonation activity of PBCV-1 ThyX. Chemical modification by diethyl pyrocarbonate and mass spectroscopic analyses identified a histidine residue (His53) crucial for NADPH oxidation and located in the vicinity of the redox active N-5 atom of the FAD ring system. Moreover, we observed that the conformation of active site key residues of PBCV-1 ThyX differs from earlier reported ThyX structures, suggesting structural changes during catalysis. Steady-state kinetic analyses support a reaction mechanism where ThyX catalysis proceeds via formation of distinct ternary complexes without formation of a methyl enzyme intermediate.


==About this Structure==
Catalytic mechanism and structure of viral flavin-dependent thymidylate synthase ThyX.,Graziani S, Bernauer J, Skouloubris S, Graille M, Zhou CZ, Marchand C, Decottignies P, van Tilbeurgh H, Myllykallio H, Liebl U J Biol Chem. 2006 Aug 18;281(33):24048-57. Epub 2006 May 17. PMID:16707489<ref>PMID:16707489</ref>
2CFA is a [[http://en.wikipedia.org/wiki/Protein_complex Protein complex]] structure of sequences from [[http://en.wikipedia.org/wiki/Paramecium_bursaria_chlorella_virus_1 Paramecium bursaria chlorella virus 1]] with CME and FAD as [[http://en.wikipedia.org/wiki/ligands ligands]]. Active as [[http://en.wikipedia.org/wiki/Transferase Transferase]], with EC number [[http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.1.1.148 2.1.1.148]]. Structure known Active Site: AC1. Full crystallographic information is available from [[http://ispc.weizmann.ac.il/oca-bin/ocashort?id=2CFA OCA]].


==Reference==
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
Catalytic mechanism and structure of viral flavin-dependent thymidylate synthase ThyX., Graziani S, Bernauer J, Skouloubris S, Graille M, Zhou CZ, Marchand C, Decottignies P, van Tilbeurgh H, Myllykallio H, Liebl U, J Biol Chem. 2006 Aug 18;281(33):24048-57. Epub 2006 May 17. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=16707489 16707489]
</div>
[[Category: Paramecium bursaria chlorella virus 1]]
<div class="pdbe-citations 2cfa" style="background-color:#fffaf0;"></div>
[[Category: Protein complex]]
[[Category: Bernauer, J.]]
[[Category: Decottignies, P.]]
[[Category: Graille, M.]]
[[Category: Graziani, S.]]
[[Category: Liebl, U.]]
[[Category: Marchand, C.]]
[[Category: Myllykallio, H.]]
[[Category: Skouloubris, S.]]
[[Category: Tilbeurgh, H.Van.]]
[[Category: Zhou, C.Z.]]
[[Category: CME]]
[[Category: FAD]]
[[Category: fdts]]
[[Category: flavin dependent thymidylate synthase fad]]
[[Category: flavoprotein]]
[[Category: methyltransferase]]
[[Category: nucleotide biosynthesis]]
[[Category: paramecium bursaria chlorella virus-1]]
[[Category: thyx]]
[[Category: transferase]]
[[Category: tscp]]


''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Oct 30 08:36:03 2007''
==See Also==
*[[Thymidylate synthase 3D structures|Thymidylate synthase 3D structures]]
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Large Structures]]
[[Category: Paramecium bursaria Chlorella virus 1]]
[[Category: Bernauer J]]
[[Category: Decottignies P]]
[[Category: Graille M]]
[[Category: Graziani S]]
[[Category: Liebl U]]
[[Category: Marchand C]]
[[Category: Myllykallio H]]
[[Category: Skouloubris S]]
[[Category: Zhou C-Z]]
[[Category: Van Tilbeurgh H]]
Retrieved from "https://proteopedia.org/2cfa"