5v12

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<StructureSection load='5v12' size='340' side='right'caption='[[5v12]], [[Resolution|resolution]] 2.45&Aring;' scene=''>
<StructureSection load='5v12' size='340' side='right'caption='[[5v12]], [[Resolution|resolution]] 2.45&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[5v12]] is a 8 chain structure with sequence from [http://en.wikipedia.org/wiki/Neucr Neucr]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5V12 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5V12 FirstGlance]. <br>
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<table><tr><td colspan='2'>[[5v12]] is a 8 chain structure with sequence from [https://en.wikipedia.org/wiki/Neurospora_crassa_OR74A Neurospora crassa OR74A]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5V12 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5V12 FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=8QJ:(2~{S})-3-(2-oxidanylsulfanyl-1~{H}-imidazol-4-yl)-2-(trimethyl-$l^{4}-azanyl)propanoic+acid'>8QJ</scene>, <scene name='pdbligand=FMT:FORMIC+ACID'>FMT</scene></td></tr>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.451&#8491;</td></tr>
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<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=EXA:'>EXA</scene>, <scene name='pdbligand=LLP:(2S)-2-AMINO-6-[[3-HYDROXY-2-METHYL-5-(PHOSPHONOOXYMETHYL)PYRIDIN-4-YL]METHYLIDENEAMINO]HEXANOIC+ACID'>LLP</scene></td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=8QJ:(2~{S})-3-(2-oxidanylsulfanyl-1~{H}-imidazol-4-yl)-2-(trimethyl-$l^{4}-azanyl)propanoic+acid'>8QJ</scene>, <scene name='pdbligand=EXA:N~6~-[(R)-[(E)-(1-carboxyethylidene)amino]{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl]-L-lysine'>EXA</scene>, <scene name='pdbligand=FMT:FORMIC+ACID'>FMT</scene>, <scene name='pdbligand=LLP:(2S)-2-AMINO-6-[[3-HYDROXY-2-METHYL-5-(PHOSPHONOOXYMETHYL)PYRIDIN-4-YL]METHYLIDENEAMINO]HEXANOIC+ACID'>LLP</scene></td></tr>
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<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">egt-2, NCU11365 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=367110 NEUCR])</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=5v12 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5v12 OCA], [https://pdbe.org/5v12 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5v12 RCSB], [https://www.ebi.ac.uk/pdbsum/5v12 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5v12 ProSAT]</span></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5v12 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5v12 OCA], [http://pdbe.org/5v12 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5v12 RCSB], [http://www.ebi.ac.uk/pdbsum/5v12 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5v12 ProSAT]</span></td></tr>
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</table>
</table>
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<div style="background-color:#fffaf0;">
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== Function ==
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== Publication Abstract from PubMed ==
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[https://www.uniprot.org/uniprot/EGT2_NEUCR EGT2_NEUCR]
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Sulfur incorporation in the biosynthesis of ergothioneine, a histidine thiol derivative, differs from other well-characterized transsulfurations. A combination of a mononuclear non-heme iron enzyme-catalyzed oxidative C-S bond formation and a subsequent pyridoxal 5'-phosphate (PLP)-mediated C-S lyase reaction leads to the net transfer of a sulfur atom from a cysteine to a histidine. In this study, we structurally and mechanistically characterized a PLP-dependent C-S lyase Egt2, which mediates the sulfoxide C-S bond cleavage in ergothioneine biosynthesis. A cation-pi interaction between substrate and enzyme accounts for Egt2's preference of sulfoxide over thioether as a substrate. Using mutagenesis and structural biology, we captured three distinct states of the Egt2 C-S lyase reaction cycle, including a labile sulfenic intermediate captured in Egt2 crystals. Chemical trapping and high-resolution mass spectrometry were used to confirm the involvement of the sulfenic acid intermediate in Egt2 catalysis.
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Snapshots of C-S Cleavage in Egt2 Reveals Substrate Specificity and Reaction Mechanism.,Irani S, Naowarojna N, Tang Y, Kathuria KR, Wang S, Dhembi A, Lee N, Yan W, Lyu H, Costello CE, Liu P, Zhang YJ Cell Chem Biol. 2018 May 17;25(5):519-529.e4. doi:, 10.1016/j.chembiol.2018.02.002. Epub 2018 Mar 1. PMID:29503207<ref>PMID:29503207</ref>
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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<div class="pdbe-citations 5v12" style="background-color:#fffaf0;"></div>
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== References ==
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<references/>
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__TOC__
__TOC__
</StructureSection>
</StructureSection>
[[Category: Large Structures]]
[[Category: Large Structures]]
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[[Category: Neucr]]
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[[Category: Neurospora crassa OR74A]]
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[[Category: Irani, S]]
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[[Category: Irani S]]
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[[Category: Zhang, Y]]
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[[Category: Zhang Y]]
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[[Category: C-s lyase]]
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[[Category: Lyase]]
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[[Category: Plp dependent]]
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Current revision

Crystal structure of Carbon Sulfoxide lyase, Egt2 Y134F with sulfenic acid intermediate

PDB ID 5v12

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