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1nje

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[[Image:1nje.gif|left|200px]]<br />
 
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<applet load="1nje" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="1nje, resolution 2.3&Aring;" />
 
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'''THYMIDYLATE SYNTHASE WITH 2'-DEOXYCYTIDINE 5'-MONOPHOSPHATE (DCMP)'''<br />
 
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==Overview==
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==THYMIDYLATE SYNTHASE WITH 2'-DEOXYCYTIDINE 5'-MONOPHOSPHATE (DCMP)==
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Thymidylate synthase (TS) methylates only dUMP, not dCMP. The crystal, structure of TS.dCMP shows sCMP 4-NH2 excluded from the space between, Asn-229 and His-199 by the hydrogen bonding and steric properties and, Asn-229. Consequently, 6-C of dCMP is over 4 A from the active site, sulfhydryl. The Asn-229 side chain is prevented from flipping 180 degrees, to and orientation the could hydrogen bond to dCMP by a hydrogen bond, network between conserved residues. Thus, the specific binding of dUMP by, TS results from occlusion of competing substrates by steric and electronic, effects of residues in the active site cavity. When Asn-229 is replaced by, a cysteine, the Cys-229 S gamma rotates out of the active site, and the, mutant enzyme binds both dCMP and dUMP tightly but does not methylate, ... [[http://ispc.weizmann.ac.il/pmbin/getpm?8611496 (full description)]]
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<StructureSection load='1nje' size='340' side='right'caption='[[1nje]], [[Resolution|resolution]] 2.30&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1nje]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Lacticaseibacillus_casei Lacticaseibacillus casei]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1NJE OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1NJE 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]] 2.3&#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=DCM:2-DEOXYCYTIDINE-5-MONOPHOSPHATE'>DCM</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=1nje FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1nje OCA], [https://pdbe.org/1nje PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1nje RCSB], [https://www.ebi.ac.uk/pdbsum/1nje PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1nje ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/TYSY_LACCA TYSY_LACCA] Provides the sole de novo source of dTMP for DNA biosynthesis.
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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/nj/1nje_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=1nje 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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1NJE is a [[http://en.wikipedia.org/wiki/Single_protein Single protein]] structure of sequence from [[http://en.wikipedia.org/wiki/Lactobacillus_casei Lactobacillus casei]] with DCM as [[http://en.wikipedia.org/wiki/ligand ligand]]. Active as [[http://en.wikipedia.org/wiki/Thymidylate_synthase Thymidylate synthase]], with EC number [[http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.1.1.45 2.1.1.45]]. Structure known Active Site: CAT. Full crystallographic information is available from [[http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1NJE OCA]].
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*[[Thymidylate synthase 3D structures|Thymidylate synthase 3D structures]]
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__TOC__
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==Reference==
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</StructureSection>
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Partitioning roles of side chains in affinity, orientation, and catalysis with structures for mutant complexes: asparagine-229 in thymidylate synthase., Finer-Moore JS, Liu L, Schafmeister CE, Birdsall DL, Mau T, Santi DV, Stroud RM, Biochemistry. 1996 Apr 23;35(16):5125-36. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=8611496 8611496]
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[[Category: Lacticaseibacillus casei]]
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[[Category: Lactobacillus casei]]
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[[Category: Large Structures]]
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[[Category: Single protein]]
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[[Category: Finer-Moore J]]
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[[Category: Thymidylate synthase]]
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[[Category: Stroud RM]]
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[[Category: Finer-Moore, J.]]
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[[Category: Stroud, R.M.]]
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[[Category: DCM]]
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[[Category: methyltransferase]]
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[[Category: nucleotide biosynthesis]]
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[[Category: transferase]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Oct 30 13:41:11 2007''
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Current revision

THYMIDYLATE SYNTHASE WITH 2'-DEOXYCYTIDINE 5'-MONOPHOSPHATE (DCMP)

PDB ID 1nje

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