biostudies-literaturePena-Soler EInstituto de Salud Carlos IIISeventh Framework ProgrammeMinisterio de Economía y CompetitividadComunidad de Madrid (ES)e0186286https://www.ebi.ac.uk/biostudies/studies/S-EPMC5646864biostudies-literatureUnknown12(10)Sulfur trafficking in living organisms relies on transpersulfuration reactions consisting in the enzyme-catalyzed transfer of S atoms via activated persulfidic S across protein-protein interfaces. The recent elucidation of the mechanistic basis for transpersulfuration in the CsdA-CsdE model system has paved the way for a better understanding of its role under oxidative stress. Herein we present the crystal structure of the oxidized, inactivated CsdE dimer at 2.4 Å resolution. The structure sheds light into the activation of the Cys61 nucleophile on its way from a solvent-secluded position in free CsdE to a fully extended conformation in the persulfurated CsdA-CsdE complex. Molecular dynamics simulations of available CsdE structures allow to delineate the sequence of conformational changes PloS oneInsights into the inhibited form of the redox-sensitive SufE-like sulfur acceptor CsdE.PMC5646864BFU2010-22260-C02-02BIO2009-11184S2010/BD-2316CTQ2015-66206-C2-2-RPI12/01667CTQ2015-66223-C2-2-PComplexINC (Contract No. 279039)PET2008_0101Aranda JTunon IGarces FVega MCFernandez FJGomez SColl MPena-Soler ELopez-Estepa MfalseInsights into the inhibited form of the redox-sensitive SufE-like sulfur acceptor CsdE.Sulfur trafficking in living organisms relies on transpersulfuration reactions consisting in the enzyme-catalyzed transfer of S atoms via activated persulfidic S across protein-protein interfaces. The recent elucidation of the mechanistic basis for transpersulfuration in the CsdA-CsdE model system has paved the way for a better understanding of its role under oxidative stress. Herein we present the crystal structure of the oxidized, inactivated CsdE dimer at 2.4 Å resolution. The structure sheds light into the activation of the Cys61 nucleophile on its way from a solvent-secluded position in free CsdE to a fully extended conformation in the persulfurated CsdA-CsdE complex. Molecular dynamics simulations of available CsdE structures allow to delineate the sequence of conformational changes 2017-01-01T00:00:00Z20172026-04-18T17:04:54.376Z2019-03-27T02:59:17ZS-EPMC56468642904545410.1371/journal.pone.0186286