دورية أكاديمية
The critical role of residues Phe120 and Val161 of (2 R,3 R)‑2,3‑butanediol dehydrogenase from Neisseria gonorrhoeae as probed by molecular docking and site-directed mutagenesis.
| العنوان: | The critical role of residues Phe120 and Val161 of (2 R,3 R)‑2,3‑butanediol dehydrogenase from Neisseria gonorrhoeae as probed by molecular docking and site-directed mutagenesis. |
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| المؤلفون: | Dong X; Bengbu Medical University Key Laboratory of Cancer Research and Clinical Laboratory Diagnosis, School of Laboratory Medicine, Bengbu Medical University, Bengbu, China., Zhang T; Bengbu Medical University Key Laboratory of Cancer Research and Clinical Laboratory Diagnosis, School of Laboratory Medicine, Bengbu Medical University, Bengbu, China., Gui C; Bengbu Medical University Key Laboratory of Cancer Research and Clinical Laboratory Diagnosis, School of Laboratory Medicine, Bengbu Medical University, Bengbu, China., Fei S; Bengbu Medical University Key Laboratory of Cancer Research and Clinical Laboratory Diagnosis, School of Laboratory Medicine, Bengbu Medical University, Bengbu, China., Xu H; Bengbu Medical University Key Laboratory of Cancer Research and Clinical Laboratory Diagnosis, School of Laboratory Medicine, Bengbu Medical University, Bengbu, China., Chang J; Scientific Research Center, Bengbu Medical University, Bengbu, China., Lian C; Bengbu Medical University Key Laboratory of Cancer Research and Clinical Laboratory Diagnosis, School of Laboratory Medicine, Bengbu Medical University, Bengbu, China.; Department of Biochemistry and Molecular Biology, School of Laboratory Medicine, Bengbu Medical University, Bengbu, China., Tang W; Bengbu Medical University Key Laboratory of Cancer Research and Clinical Laboratory Diagnosis, School of Laboratory Medicine, Bengbu Medical University, Bengbu, China.; Department of Biochemistry and Molecular Biology, School of Laboratory Medicine, Bengbu Medical University, Bengbu, China. |
| المصدر: | Journal of basic microbiology [J Basic Microbiol] 2024 Jun; Vol. 64 (6), pp. e2300751. Date of Electronic Publication: 2024 Apr 21. |
| نوع المنشور: | Journal Article |
| اللغة: | English |
| بيانات الدورية: | Publisher: Wiley-VCH Verlag Country of Publication: Germany NLM ID: 8503885 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1521-4028 (Electronic) Linking ISSN: 0233111X NLM ISO Abbreviation: J Basic Microbiol Subsets: MEDLINE |
| أسماء مطبوعة: | Publication: <2005->: Weinheim, Germany : Wiley-VCH Verlag Original Publication: Berlin : Akademie-Verlag, [1985- |
| مواضيع طبية MeSH: | Molecular Docking Simulation* , Neisseria gonorrhoeae*/enzymology , Neisseria gonorrhoeae*/genetics , Neisseria gonorrhoeae*/metabolism , Mutagenesis, Site-Directed* , Alcohol Oxidoreductases*/genetics , Alcohol Oxidoreductases*/metabolism , Alcohol Oxidoreductases*/chemistry , Butylene Glycols*/metabolism , Phenylalanine*/metabolism , Phenylalanine*/genetics, Kinetics ; Binding Sites ; Substrate Specificity ; Bacterial Proteins/genetics ; Bacterial Proteins/metabolism ; Bacterial Proteins/chemistry ; Valine/metabolism ; Valine/genetics ; Catalytic Domain ; Hydrophobic and Hydrophilic Interactions |
| مستخلص: | NAD + -dependent (2 R,3 R)‑2,3‑butanediol dehydrogenase (BDH) from Neisseria gonorrhoeae (NgBDH) is a representative member of the medium-chain 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 R,3 R)‑2,3‑butanediol (RR-BD) and meso-2,3‑butanediol (meso-BD) 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 K (© 2024 Wiley‐VCH GmbH.) |
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| معلومات مُعتمدة: | 202110367017 National College Students Innovation and Entrepreneurship Training Program; bsqd202215 Doctoral Starting up Foundation of Bengbu Medical College; 2023AH051932 Natural Science Research Project of the Anhui Educational Committee |
| فهرسة مساهمة: | Keywords: (2 R,3 R)‑2,3‑butanediol dehydrogenase; medium‐chain dehydrogenase/reductase superfamily; molecular docking, kinetics; site‐directed mutagenesis |
| المشرفين على المادة: | EC 1.1.- (Alcohol Oxidoreductases) 0 (Butylene Glycols) 47E5O17Y3R (Phenylalanine) EC 1.1.1.4 (butanediol dehydrogenase) 45427ZB5IJ (2,3-butylene glycol) 0 (Bacterial Proteins) HG18B9YRS7 (Valine) |
| تواريخ الأحداث: | Date Created: 20240422 Date Completed: 20240605 Latest Revision: 20240605 |
| رمز التحديث: | 20240606 |
| DOI: | 10.1002/jobm.202300751 |
| PMID: | 38644586 |
| قاعدة البيانات: | MEDLINE |
Full Text Finder | تدمد: | 1521-4028 |
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| DOI: | 10.1002/jobm.202300751 |