7dal: Difference between revisions

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-'''Unreleased structure'''
-The entry 7dal is ON HOLD
+==The crystal structure of a serotonin N-acetyltransferase in complex with serotonin and acetyl-CoA from Oryza Sativa==
+<StructureSection load='7dal' size='340' side='right'caption='[[7dal]], [[Resolution|resolution]] 2.50&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[7dal]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Oryza_sativa_Japonica_Group Oryza sativa Japonica Group]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7DAL OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7DAL 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]] 2.5&#8491;</td></tr>
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACO:ACETYL+COENZYME+*A'>ACO</scene>, <scene name='pdbligand=SRO:SEROTONIN'>SRO</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=7dal FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7dal OCA], [https://pdbe.org/7dal PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7dal RCSB], [https://www.ebi.ac.uk/pdbsum/7dal PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7dal ProSAT]</span></td></tr>
+</table>
+== Function ==
+[https://www.uniprot.org/uniprot/SNAT1_ORYSJ SNAT1_ORYSJ] Catalyzes the N-acetylation of serotonin into N-acetylserotonin, the penultimate step in the synthesis of melatonin (PubMed:22998587, PubMed:24134674, PubMed:27121038). Catalyzes in vitro the N-acetylation of tryptamine to produce N-acetyltryptamine, 5-methoxytryptamine to produce melatonin and tyramine to produce N-acetyltyramine (PubMed:27121038). Acetyltransferase required for geminivirus infection and systemic spread (By similarity).[UniProtKB:Q7X9V3]<ref>PMID:22998587</ref> <ref>PMID:24134674</ref> <ref>PMID:27121038</ref>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+Serotonin N-acetyltransferase (SNAT) is the key rate-limiting enzyme in melatonin biosynthesis. It mediates melatonin biosynthesis in plants by using serotonin and 5-methoxytryptamine (5-MT), but little is known of its underlying mechanisms. Herein, we present a detailed reaction mechanism of a SNAT from Oryza sativa through combined structural and molecular dynamics (MD) analysis. We report the crystal structures of plant SNAT in the apo and binary/ternary complex forms with acetyl-CoA (AcCoA), serotonin, and 5-MT. OsSNAT exhibits a unique enzymatically active dimeric fold not found in the known structures of arylalkylamine N-acetyltransferase (AANAT) family. The key residues W188, D189, D226, N220, and Y233 located around the active pocket are important in catalysis, confirmed by site-directed mutagenesis. Combined with MD simulations, we hypothesize a novel plausible catalytic mechanism in which D226 and Y233 function as catalytic base and acid during the acetyl-transfer reaction.
-Authors: Zhou, Y.Z., Liao, L.J., Tang, T., Guo, Y., Liu, X.K., Liu, B., Zhao, Y.C.
+Structural and Molecular Dynamics Analysis of Plant Serotonin N-Acetyltransferase Reveal an Acid/Base-Assisted Catalysis in Melatonin Biosynthesis.,Liao L, Zhou Y, Xu Y, Zhang Y, Liu X, Liu B, Chen X, Guo Y, Zeng Z, Zhao Y Angew Chem Int Ed Engl. 2021 May 17;60(21):12020-12026. doi:, 10.1002/anie.202100992. Epub 2021 Apr 7. PMID:33682300<ref>PMID:33682300</ref>
-Description: The crystal structure of a serotonin N-acetyltransferase in complex with serotonin and acetyl-CoA from Oryza Sativa
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-[[Category: Unreleased Structures]]
+</div>
-[[Category: Liu, X.K]]
+<div class="pdbe-citations 7dal" style="background-color:#fffaf0;"></div>
-[[Category: Zhao, Y.C]]
-[[Category: Tang, T]]
+==See Also==
-[[Category: Zhou, Y.Z]]
+*[[Serotonin N-acetyltransferase|Serotonin N-acetyltransferase]]
-[[Category: Guo, Y]]
+== References ==
-[[Category: Liu, B]]
+<references/>
-[[Category: Liao, L.J]]
+__TOC__
+</StructureSection>
+[[Category: Large Structures]]
+[[Category: Oryza sativa Japonica Group]]
+[[Category: Guo Y]]
+[[Category: Liao LJ]]
+[[Category: Liu B]]
+[[Category: Liu XK]]
+[[Category: Tang T]]
+[[Category: Zhao YC]]
+[[Category: Zhou YZ]]