{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,6,3]],"date-time":"2026-06-03T07:29:27Z","timestamp":1780471767158,"version":"3.54.1"},"reference-count":73,"publisher":"American Association for the Advancement of Science (AAAS)","issue":"8","funder":[{"DOI":"10.13039\/100000052","name":"NIH Office of the Director","doi-asserted-by":"publisher","award":["S10 OD032431-01A1"],"award-info":[{"award-number":["S10 OD032431-01A1"]}],"id":[{"id":"10.13039\/100000052","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100000057","name":"National Institute of General Medical Sciences","doi-asserted-by":"publisher","award":["R35 GM118157"],"award-info":[{"award-number":["R35 GM118157"]}],"id":[{"id":"10.13039\/100000057","id-type":"DOI","asserted-by":"publisher"}]},{"name":"John R. and Wendy L. Kindig Fellowship, Indiana University"},{"name":"Kratz Fellowship, Indiana University"},{"name":"Henry R. Mahler Memorial Award, Indiana University"},{"name":"Start-up funds provided by Indiana University Bloomington"}],"content-domain":{"domain":["www.science.org"],"crossmark-restriction":true},"short-container-title":["Sci. Adv."],"published-print":{"date-parts":[[2026,2,20]]},"abstract":"<jats:p>\n                    Many bacteria harbor an ATP-binding cassette (ABC) transporter named EgtU specific for the human dietary antioxidant and 2-thioimidazole\u2013containing low\u2013molecular weight thiol ergothioneine (ET). How the solute binding domain, EgtUC, discriminates among ET and other similar molecules is unknown. Here, we use a \u201cchimeric\u201d mutagenesis strategy and two distantly related EgtUCs from\n                    <jats:italic toggle=\"yes\">Streptococcus pneumoniae and Helicobacter pylori<\/jats:italic>\n                    to show that a suite of EgtUC alkyl CH\u2022\u2022\u2022S hydrogen bonds to the ET thione S atom are central determinants of molecular recognition. Small perturbations in CH\u2022\u2022\u2022S distance and angle give rise to sharply attenuated transport-competent ET-bound \u201cclosed\u201d state lifetimes and increased motional disorder in the binding pocket, not around the S atom itself, but distally in weakening NH\u2022\u2022\u2022O hydrogen bonds. This work highlights the impact of alkyl CH\u2022\u2022\u2022S H bonding in a biological protein-ligand complex in water.\n                  <\/jats:p>","DOI":"10.1126\/sciadv.aeb0426","type":"journal-article","created":{"date-parts":[[2026,2,20]],"date-time":"2026-02-20T18:58:58Z","timestamp":1771613938000},"update-policy":"https:\/\/doi.org\/10.34133\/aaas_crossmark","source":"Crossref","is-referenced-by-count":2,"title":["CH\u2022\u2022\u2022S hydrogen bonds drive molecular recognition of ergothioneine by the microbial transporter"],"prefix":"10.1126","volume":"12","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-3508-8765","authenticated-orcid":true,"given":"Katherine A.","family":"Legg","sequence":"first","affiliation":[{"name":"Department of Chemistry, Indiana University, Bloomington, IN, 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