{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,17]],"date-time":"2026-08-17T14:47:05Z","timestamp":1786978025255,"version":"build-2736575974"},"reference-count":43,"publisher":"Wiley","issue":"6","license":[{"start":{"date-parts":[[2024,4,21]],"date-time":"2024-04-21T00:00:00Z","timestamp":1713657600000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"funder":[{"DOI":"10.13039\/501100013254","name":"National College Students Innovation and Entrepreneurship Training Program","doi-asserted-by":"publisher","award":["202110367017"],"award-info":[{"award-number":["202110367017"]}],"id":[{"id":"10.13039\/501100013254","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["J Basic Microbiol"],"published-print":{"date-parts":[[2024,6]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>\n                    NAD\n                    <jats:sup>+<\/jats:sup>\n                    \u2010dependent (2\u2009\n                    <jats:italic>R<\/jats:italic>\n                    ,3\u2009\n                    <jats:italic>R<\/jats:italic>\n                    )\u20112,3\u2011butanediol dehydrogenase (BDH) from\n                    <jats:italic>Neisseria gonorrhoeae<\/jats:italic>\n                    (NgBDH) is a representative member of the medium\u2010chain dehydrogenase\/reductase (MDR) superfamily. To date, little information is available on the substrate binding sites and catalytic residues of BDHs from this superfamily. In this work, according to molecular docking studies, we found that conserved residues Phe120 and Val161 form strong hydrophobic interactions with both (2\u2009\n                    <jats:italic>R<\/jats:italic>\n                    ,3\u2009\n                    <jats:italic>R<\/jats:italic>\n                    )\u20112,3\u2011butanediol (RR\u2010BD) and\n                    <jats:italic>meso<\/jats:italic>\n                    \u20102,3\u2011butanediol (meso\u2010BD) and that mutations of these residues to alanine or threonine impair substrate binding. To further evaluate the roles of these two residues, Phe120 and Val161 were mutated to alanine or threonine. Kinetic analysis revealed that, relative to those of wild type, the apparent\n                    <jats:italic>K<\/jats:italic>\n                    <jats:sub>M<\/jats:sub>\n                    values of the Phe120Ala mutant for RR\u2010BD and meso\u2010BD increased 36\u2010 and 369\u2010fold, respectively; the catalytic efficiencies of this mutant with RR\u2010BD and meso\u2010BD decreased approximately 586\u2010 and 3528\u2010fold, respectively; and the apparent\n                    <jats:italic>K<\/jats:italic>\n                    <jats:sub>M<\/jats:sub>\n                    values of the Val161Ala mutant for RR\u2010BD and meso\u2010BD increased 4\u2010 and 37\u2010fold, respectively, the catalytic efficiencies of this mutant with RR\u2010BD and meso\u2010BD decreased approximately 3\u2010 and 28\u2010fold, respectively. Additionally, the Val161Thr mutant slightly decreased catalytic efficiencies (twofold with RR\u2010BD; 7.3\u2010fold with meso\u2010BD) due to an increase in\n                    <jats:italic>K<\/jats:italic>\n                    <jats:sub>M<\/jats:sub>\n                    (sixfold for RR\u2010BD; 24\u2010fold for meso\u2010BD) and a slight increase (2.8\u2010fold with RR\u2010BD; 3.3\u2010fold with meso\u2010BD) in\n                    <jats:italic>k<\/jats:italic>\n                    <jats:sub>cat<\/jats:sub>\n                    . These findings validate the critical roles of Phe120 and Val161 of NgBDH in substrate binding and catalysis. Overall, the current study provides a better understanding of the substrate binding and catalysis of BDHs within the MDR superfamily.\n                  <\/jats:p>","DOI":"10.1002\/jobm.202300751","type":"journal-article","created":{"date-parts":[[2024,4,22]],"date-time":"2024-04-22T00:59:27Z","timestamp":1713747567000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":1,"title":["The critical role of residues Phe120 and Val161 of (2\u2009\n                    <i>R<\/i>\n                    ,3\u2009\n                    <i>R<\/i>\n                    )\u20112,3\u2011butanediol dehydrogenase from\n                    <i>Neisseria gonorrhoeae<\/i>\n                    as probed by molecular docking and site\u2010directed mutagenesis"],"prefix":"10.1002","volume":"64","author":[{"given":"Xue","family":"Dong","sequence":"first","affiliation":[{"name":"Bengbu Medical University Key Laboratory of Cancer Research and Clinical Laboratory Diagnosis, School of Laboratory Medicine Bengbu Medical University Bengbu China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Tingting","family":"Zhang","sequence":"additional","affiliation":[{"name":"Bengbu Medical University Key Laboratory of Cancer Research and Clinical Laboratory Diagnosis, School of Laboratory Medicine Bengbu Medical University Bengbu China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Chuanyue","family":"Gui","sequence":"additional","affiliation":[{"name":"Bengbu Medical University Key Laboratory of Cancer Research and Clinical Laboratory Diagnosis, School of Laboratory Medicine Bengbu Medical University Bengbu China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Shuping","family":"Fei","sequence":"additional","affiliation":[{"name":"Bengbu Medical University Key Laboratory of Cancer Research and Clinical Laboratory Diagnosis, School of Laboratory Medicine Bengbu Medical University Bengbu 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