タイトル | Structural diversity of bile salt hydrolases reveals rationale for substrate selectivity |
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ジャーナル・号・ページ | To Be Published |
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掲載日 | 2022年10月14日 (構造データの登録日) |
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著者 | Walker, M.E. / Lim, L. / Redinbo, M.R. |
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リンク | PubMedで検索 |
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手法 | X線回折 |
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解像度 | 1.79 - 3.11 Å |
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構造データ | PDB-8esg: Bile Salt Hydrolase B from Lactobacillus gasseri with covalent inhibitor bound 手法: X-RAY DIFFRACTION / 解像度: 2.18 Å PDB-8esi: Bile Salt Hydrolase from B. longum with covalent inhibitor bound 手法: X-RAY DIFFRACTION / 解像度: 2.35 Å PDB-8esl: Bile Salt Hydrolase from a Bacteroidales species with covalent inhibitor bound 手法: X-RAY DIFFRACTION / 解像度: 3.11 Å PDB-8ete: Bile Salt Hydrolase from B. longum with covalent inhibitor bound 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-8etf: Bile Salt Hydrolase B from Lactobacillus gasseri with covalent inhibitor bound 手法: X-RAY DIFFRACTION / 解像度: 1.79 Å PDB-8etk: Bile salt hydrolase A from Lactobacillus gasseri bound to covalent probe 手法: X-RAY DIFFRACTION / 解像度: 1.83 Å PDB-8ewt: Bile salt hydrolase A from Lactobacillus gasseri bound to covalent probe 手法: X-RAY DIFFRACTION / 解像度: 2.03 Å PDB-8fao: Bile Salt Hydrolase B from Lactobacillus gasseri with covalent inhibitor bound 手法: X-RAY DIFFRACTION / 解像度: 2.14 Å |
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化合物 | ChemComp-WSR: (1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-1-[(2R)-6-fluoro-5-oxohexan-2-yl]-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-7-yl hydrogen sulfate (non-preferred name)
ChemComp-WU5: (5R)-1-fluoro-5-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-7-hydroxy-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]hexan-2-one (non-preferred name)
ChemComp-WU9: (5R)-5-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-9a,11a-dimethyl-7-(2-{2-[(prop-2-yn-1-yl)oxy]ethoxy}ethoxy)hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-1-fluorohexan-2-one (non-preferred name)
ChemComp-X3I: (5R)-5-{(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-9a,11a-dimethyl-7-[(prop-2-yn-1-yl)oxy]hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-1-fluorohexan-2-one (non-preferred name)
ChemComp-XLK: (5R)-5-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11S,11aR)-7,11-dihydroxy-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-1-fluorohexan-2-one (non-preferred name)
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由来 | - lactobacillus gasseri (乳酸菌)
- bifidobacterium longum (バクテリア)
- bacteroidales (バクテリア)
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キーワード | HYDROLASE/HYDROLASE INHIBITOR / bile salt hydrolase / HYDROLASE-HYDROLASE INHIBITOR complex / HYDROLASE |
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