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==The crystal structure of a serotonin N-acetyltransferase in complex with 5-Methoxytryptamine and acetyl-CoA from Oryza Sativa==
<StructureSection load='7dak' size='340' side='right'caption='[[7dak]], [[Resolution|resolution]] 2.80&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[7dak]] 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=7DAK OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7DAK 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]] 2.8&#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=F5U:2-(5-methoxy-1H-indol-3-yl)ethanamine'>F5U</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=7dak FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7dak OCA], [https://pdbe.org/7dak PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7dak RCSB], [https://www.ebi.ac.uk/pdbsum/7dak PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7dak 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> 
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== 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.

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>

From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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<div class="pdbe-citations 7dak" style="background-color:#fffaf0;"></div>

==See Also==
*[[Serotonin N-acetyltransferase|Serotonin N-acetyltransferase]]
== References ==
<references/>
__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]]