タイトル | Mechanistic insights from the binding of substrate and carbocation intermediate analogues to aristolochene synthase. |
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ジャーナル・号・ページ | Biochemistry, Vol. 52, Page 5441-5453, Year 2013 |
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掲載日 | 2013年5月22日 (構造データの登録日) |
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著者 | Chen, M. / Al-Lami, N. / Janvier, M. / D'Antonio, E.L. / Faraldos, J.A. / Cane, D.E. / Allemann, R.K. / Christianson, D.W. |
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リンク | Biochemistry / PubMed:23905850 |
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手法 | X線回折 |
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解像度 | 1.857 - 2.4 Å |
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構造データ | PDB-4kux: Crystal structure of Aspergillus terreus aristolochene synthase complexed with farnesyl thiolodiphosphate (FSPP) 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-4kvd: Crystal structure of Aspergillus terreus aristolochene synthase complexed with (4aS,7S)-1,4a-dimethyl-7-(prop-1-en-2-yl)decahydroquinolin-1-ium 手法: X-RAY DIFFRACTION / 解像度: 2.4 Å PDB-4kvi: Crystal structure of Aspergillus terreus aristolochene synthase complexed with (4aS,7S)-4a-methyl-7-(prop-1-en-2-yl)-2,3,4,4a,5,6,7,8-octahydroquinolin-1-ium 手法: X-RAY DIFFRACTION / 解像度: 2.15 Å PDB-4kvw: Crystal structure of Aspergillus terreus aristolochene synthase complexed with (3R,6R,9aR)-6,9a-dimethyl-3-(prop-1-en-2-yl)decahydroquinolizin-5-ium 手法: X-RAY DIFFRACTION / 解像度: 2.102 Å PDB-4kvy: Crystal structure of Aspergillus terreus aristolochene synthase complexed with (1S,8S,9aR)-1,9a-dimethyl-8-(prop-1-en-2-yl)decahydroquinolizin-5-ium 手法: X-RAY DIFFRACTION / 解像度: 1.95 Å PDB-4kwd: Crystal structure of Aspergillus terreus aristolochene synthase complexed with (1R,8R,9aS)-1,9a-dimethyl-8-(prop-1-en-2-yl)decahydroquinolizin-5-ium 手法: X-RAY DIFFRACTION / 解像度: 1.857 Å |
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化合物 | ChemComp-1SS: (1R,4aS,7S,8aR)-1,4a-dimethyl-7-(prop-1-en-2-yl)decahydroquinolinium / 1,4aβ-ジメチル-7α-(1-メチルエテニル)-1,2,3,4,4a,5,6,7,8,8aα-デカヒドロキノリン-(以下略)
ChemComp-1SV: (4aS,7S)-4a-methyl-7-(prop-1-en-2-yl)-2,3,4,4a,5,6,7,8-octahydroquinolinium / (4aS)-4aβ-メチル-7α-イソプロペニル-2,3,4,4a,5,6,7,8-オクタヒドロキノリニウム
ChemComp-JF4: (3R,5S,6R,9aR)-6,9a-dimethyl-3-(prop-1-en-2-yl)octahydro-2H-quinolizinium
ChemComp-JF1: (1S,5S,8S,9aR)-1,9a-dimethyl-8-(prop-1-en-2-yl)octahydro-2H-quinolizinium
ChemComp-JF2: (1R,5R,8R,9aS)-1,9a-dimethyl-8-(prop-1-en-2-yl)octahydro-2H-quinolizinium
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由来 | - aspergillus terreus (カビ)
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キーワード | LYASE / Class I terpene cyclase / LYASE/LYASE INHIBITOR / LYASE-LYASE INHIBITOR complex / alpha-helical fold / farnesyl diphosphate / metal-binding / magnesium / Class I terpenoid cyclase / metal-binding motif |
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