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For the homodimeric enzyme tRNA\u2010guanine transglycosylase (TGT), a putative virulence target of shigellosis, ligand binding has been shown by crystallography to transform the functional dimer geometry into an incompetent twisted one. However, crystallographic observation of both end states does neither verify the ligand\u2010induced transformation of one dimer into the other in solution nor does it shed light on the underlying transformation mechanism. We addressed these questions in an approach that combines site\u2010directed spin labeling (SDSL) with distance measurements based on pulsed electron\u2013electron double resonance (PELDOR or DEER) spectroscopy. We observed an equilibrium between the functional and twisted dimer that depends on the type of ligand, with a pyranose\u2010substituted ligand being the most potent one in shifting the equilibrium toward the twisted dimer. Our experiments suggest a dissociation\u2013association mechanism for the formation of the twisted dimer upon ligand binding.<\/jats:p>","DOI":"10.1002\/anie.202108179","type":"journal-article","created":{"date-parts":[[2021,8,13]],"date-time":"2021-08-13T02:23:09Z","timestamp":1628821389000},"page":"23419-23426","update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":12,"title":["Unraveling a Ligand\u2010Induced Twist of a Homodimeric Enzyme by Pulsed Electron\u2013Electron Double Resonance"],"prefix":"10.1002","volume":"60","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-7144-2525","authenticated-orcid":false,"given":"Dzung","family":"Nguyen","sequence":"first","affiliation":[{"name":"Institut f\u00fcr Pharmazeutische Chemie Philipps-Universit\u00e4t Marburg  Marbacher Weg 8 35032 Marburg Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1500-3629","authenticated-orcid":false,"given":"Dinar","family":"Abdullin","sequence":"additional","affiliation":[{"name":"Institute of Physical and Theoretical Chemistry University of Bonn  Wegelerstr. 12 53115 Bonn Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Caspar A.","family":"Heubach","sequence":"additional","affiliation":[{"name":"Institute of Physical and Theoretical Chemistry University of Bonn  Wegelerstr. 12 53115 Bonn Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Toni","family":"Pfaffeneder","sequence":"additional","affiliation":[{"name":"Laboratorium f\u00fcr Organische Chemie ETH Z\u00fcrich  Vladimir-Prelog-Weg 3, HCI 8093 Z\u00fcrich Switzerland"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0943-1021","authenticated-orcid":false,"given":"Andreas","family":"Nguyen","sequence":"additional","affiliation":[{"name":"Institut f\u00fcr Pharmazeutische Chemie Philipps-Universit\u00e4t Marburg  Marbacher Weg 8 35032 Marburg Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5285-4089","authenticated-orcid":false,"given":"Andreas","family":"Heine","sequence":"additional","affiliation":[{"name":"Institut f\u00fcr Pharmazeutische Chemie Philipps-Universit\u00e4t Marburg  Marbacher Weg 8 35032 Marburg Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6869-7877","authenticated-orcid":false,"given":"Klaus","family":"Reuter","sequence":"additional","affiliation":[{"name":"Institut f\u00fcr Pharmazeutische Chemie Philipps-Universit\u00e4t Marburg  Marbacher Weg 8 35032 Marburg Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Fran\u00e7ois","family":"Diederich","sequence":"additional","affiliation":[{"name":"Laboratorium f\u00fcr Organische Chemie ETH Z\u00fcrich  Vladimir-Prelog-Weg 3, HCI 8093 Z\u00fcrich Switzerland"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6346-9779","authenticated-orcid":false,"given":"Olav","family":"Schiemann","sequence":"additional","affiliation":[{"name":"Institute of Physical and Theoretical Chemistry University of Bonn  Wegelerstr. 12 53115 Bonn Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4913-390X","authenticated-orcid":false,"given":"Gerhard","family":"Klebe","sequence":"additional","affiliation":[{"name":"Institut f\u00fcr Pharmazeutische Chemie Philipps-Universit\u00e4t Marburg  Marbacher Weg 8 35032 Marburg Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"311","published-online":{"date-parts":[[2021,9,21]]},"reference":[{"key":"e_1_2_6_1_1","doi-asserted-by":"publisher","DOI":"10.1016\/B978-0-12-386931-9.00001-5"},{"key":"e_1_2_6_2_1","doi-asserted-by":"publisher","DOI":"10.1088\/1478-3975\/8\/3\/035007"},{"key":"e_1_2_6_3_1","doi-asserted-by":"publisher","DOI":"10.1126\/science.172.3989.1205"},{"key":"e_1_2_6_4_1","doi-asserted-by":"publisher","DOI":"10.1128\/JVI.78.12.6657-6665.2004"},{"key":"e_1_2_6_5_1","doi-asserted-by":"publisher","DOI":"10.1038\/nchembio.192"},{"key":"e_1_2_6_6_1","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1918164117"},{"key":"e_1_2_6_7_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jmedchem.9b01913"},{"key":"e_1_2_6_8_1","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pone.0175723"},{"key":"e_1_2_6_9_1","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201804627"},{"key":"e_1_2_6_9_2","doi-asserted-by":"publisher","DOI":"10.1002\/ange.201804627"},{"key":"e_1_2_6_10_1","doi-asserted-by":"publisher","DOI":"10.1038\/nsb976"},{"key":"e_1_2_6_11_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmb.2009.07.040"},{"key":"e_1_2_6_12_1","first-page":"565","volume":"23","author":"Milov A. 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