I carried out my thesis at CEA Grenoble (UMR 5249, UGA / CNRS / CEA), under the supervision of Professor Marc Fontecave and Dr. Hamid Atta, on [FeS] cluster metalloproteins (RimO, MiaB, MtaB) called Radical SAM which catalyze thiomethylation reactions on transfer RNAs or on the ribosomal protein S12. This work showed that these enzymes are not "suicide" enzymes (as presented in the literature) but that, in the presence of sulfide, they are capable of inserting sulfur without degrading their [FeS] clusters. I then did a first post-doctorate at Universidad Politécnica de Madrid (2011-2014) on another radical SAM enzyme called NifB under the supervision of Professor Luis Rubio. This work demonstrated that the enzyme NifB has three [4Fe-4S] clusters essential for synthesizing the cofactor NifB-co which is the essential precursor for the biosynthesis of FeFe-co, FeV-co and FeMo-co respectively in iron, vanadium and molybdenum nitrogenases. In October 2014, I was appointed “Maître de Conférence Associé” at the Collège de France (Chair of Chemistry of Biological Processes, UMR 8229) directed by professor Marc Fontecave. During two years, I worked on metalloproteins with [FeS] clusters, one having a [4Fe-4S] cluster (TtuA) involved in the thiolation of transfer RNA and the other a diacylglycerol acyltransferases (atDGTAT3) having a [2Fe-2S] cluster. I then worked as Research Project Scientist (2017-2018) at the University of Davis, California in Professor Stephen Cramer's laboratory on [Fe-Fe] hydrogenases and on nitrogenases. Alongside, I worked at Stanford University in the laboratory of Professor James Swartz on the biosynthesis of the H cluster in [Fe-Fe] hydrogenases.
Since November 2018, I have undertaken research work in the biotechnology department of IFPEN, to work on enzymes, cellulases, produced by the fungus T. reesei, which are used to degrade lignocellulosic biomass. Optimal degradation of lingo-cellulosic biomass is one of the ways to develop a bioeconomy based on an abundant and renewable resource (biomass).
19 articles published in peer-reviewed journals
H = 12
3 conferences in international congresses (11th European Nitrogen Fixation Conference, Tenerife, 2014; IMBG, Villard de Lans, 2015) including 1 guest conference (Gordon conference at Andover, USA, Carbohydrate-Active Enzymes for Glycan Conversions, 2019), 2 guest seminars in France, 1 conference in a national congress in France (Fréjus 2009).
Activity as reviewer for Biotechnology for biofuels
Biocatalyst development and optimization of the enzyme cocktail produced by T. reesei.
Jean-Lou Reyre, Sacha Grisel, Mireille Haon, Ruite Xiang, Jean-Charles Gaillard, Jean Armengaud, Victor Guallar, Antoine Margeot, Simon Arragain, Jean-Guy Berrin, Bastien Bissaro, Insights into peculiar fungal LPMO family members holding a short C-terminal sequence reminiscent of phosphate binding motifs, Scientific Reports, 2023 Jul 18;13(1):11586., doi: 10.1038/s41598-023-38617-5
Yann Chalopin, Stephen P Cramer, Simon Arragain, Phonon-assisted electron-proton transfer in [FeFe] hydrogenases: Topological role of clusters Biophisical journal, 2023 Mar 22;S0006-3495(23)00200-X. doi: 10.1016/j.bpj.2023.03.027
Jingjing Zhou, Ornella Bimai, Simon Arragain, Ludovic Pecqueur, Béatrice Golinelli-Pimpaneau, TtuA and TudS, Two [4Fe-4S]-Dependent Enzymes Catalyzing Nonredox Sulfuration or Desulfuration Reactions, Encyclopedia of Inorganic and Bioinorganic Chemistry, 2022, https://doi.org/10.1002/9781119951438.eibc2811 
Vladimir, Pelmenschikov; James A, Birrell*; Leland B., Gee; Casseday P., Richers; Edward J., Reijerse; Hongxin, Wang; Simon, Arragain; Nakul, Mishra; Yoshitaka, Yoda; Hiroaki, Matsuura; Lei, Li; Kenji, Tamasaku; Thomas B., Rauchfuss; Wolfgang, Lubitz; Stephen P, Cramer (2021) Vibrational Perturbation of the [FeFe] Hydrogenase H-Cluster Revealed by 13C2H-ADT Labeling, Journal of the American Chemical Society, 2021, 143, 22, 8237–8243, DOI: 10.1021/jacs.1c02323
Ornella, Bimai; Simon, Arragain; Béatrice, Golinelli-Pimpaneau (2020) Structure-based mechanistic insights into catalysis by tRNA thiolation enzymes. In : Current Opinion in Structural Biology, vol. 65, P. 69-78. DOI: 10.1016/j.sbi.2020.06.002.
Forouhar, Farhad; Arragain, Simon; Atta, Mohamed; Gambarelli, Serge; Mouesca, Jean-Marie; Hussain, Munif et al. (2013) Two Fe-S clusters catalyze sulfur insertion by radical-SAM methylthiotransferases. In : Nature chemical biology, vol. 9, n° 5, p. 333–338. DOI: 10.1038/nchembio.1229.