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-基本情報
登録情報 | データベース: SASBDB / ID: SASDAM6 |
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試料 | Naringenin-bound chalcone isomerase
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機能・相同性 | Chalcone isomerase, N-terminal / Chalcone isomerase N-terminal domain / chalcone isomerase / chalcone isomerase activity / Chalcone isomerase 機能・相同性情報 |
生物種 | Eubacterium ramulus (バクテリア) |
引用 | ジャーナル: Acta Crystallogr D Biol Crystallogr / 年: 2015 タイトル: Structure and catalytic mechanism of the evolutionarily unique bacterial chalcone isomerase. 著者: Maren Thomsen / Anne Tuukkanen / Jonathan Dickerhoff / Gottfried J Palm / Hanna Kratzat / Dmitri I Svergun / Klaus Weisz / Uwe T Bornscheuer / Winfried Hinrichs / 要旨: Flavonoids represent a large class of secondary metabolites produced by plants. These polyphenolic compounds are well known for their antioxidative abilities, are antimicrobial phytoalexins ...Flavonoids represent a large class of secondary metabolites produced by plants. These polyphenolic compounds are well known for their antioxidative abilities, are antimicrobial phytoalexins responsible for flower pigmentation to attract pollinators and, in addition to other properties, are also specific bacterial regulators governing the expression of Rhizobium genes involved in root nodulation (Firmin et al., 1986). The bacterial chalcone isomerase (CHI) from Eubacterium ramulus catalyses the first step in a flavanone-degradation pathway by ring opening of (2S)-naringenin to form naringenin chalcone. The structural biology and enzymology of plant CHIs have been well documented, whereas the existence of bacterial CHIs has only recently been elucidated. This first determination of the structure of a bacterial CHI provides detailed structural insights into the key step of the flavonoid-degradation pathway. The active site could be confirmed by co-crystallization with the substrate (2S)-naringenin. The stereochemistry of the proposed mechanism of the isomerase reaction was verified by specific (1)H/(2)H isotope exchange observed by (1)H NMR experiments and was further supported by mutagenesis studies. The active site is shielded by a flexible lid, the varying structure of which could be modelled in different states of the catalytic cycle using small-angle X-ray scattering data together with the crystallographic structures. Comparison of bacterial CHI with the plant enzyme from Medicago sativa reveals that they have unrelated folds, suggesting that the enzyme activity evolved convergently from different ancestor proteins. Despite the lack of any functional relationship, the tertiary structure of the bacterial CHI shows similarities to the ferredoxin-like fold of a chlorite dismutase and the stress-related protein SP1. |
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-構造の表示
-ダウンロードとリンク
-モデル
-試料
試料 | 名称: Naringenin-bound chalcone isomerase / Contrast: 3.047 / 試料濃度: 0.77-2.60 |
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バッファ | 名称: 50 mM sodium phosphate / pH: 6.8 |
要素 #511 | 名称: naringenin-CHI / タイプ: protein / 記述: Chalcone isomerase with Naringenin / 分子量: 32.4 / 分子数: 6 / 由来: Eubacterium ramulus / 参照: UniProt: V9P0A9 配列: MADFKFEPMR SLIYVDCVSE DYRPKLQRWI YKVHIPDSIS QFEPYVTKYA FYPSFPIPPQ GDRFGYARMQ LTEHHWLVSD LDPRLEIKAI AETFPMDVLV WQGQIPAAAH TDAQIDSDGD AGNAARKSNN AEGNPFIFAF LPMWWEKDLK GKGRTIEDGA NYRFNMTIGF ...配列: MADFKFEPMR SLIYVDCVSE DYRPKLQRWI YKVHIPDSIS QFEPYVTKYA FYPSFPIPPQ GDRFGYARMQ LTEHHWLVSD LDPRLEIKAI AETFPMDVLV WQGQIPAAAH TDAQIDSDGD AGNAARKSNN AEGNPFIFAF LPMWWEKDLK GKGRTIEDGA NYRFNMTIGF PEGVDKAEGE KWLFEKVVPI LQAAPECTRV LASAVKKDIN GCVMDWVLEI WFENQSGWYK VMVDDMKALE KPSWAQQDAF PFLKPYHNVC SAAVADYTPS NNLANYRGYI TMR |
-実験情報
ビーム | 設備名称: PETRA III P12 / 地域: Hamburg / 国: Germany / 線源: X-ray synchrotron / 波長: 0.124 Å / スペクトロメータ・検出器間距離: 3.1 mm | ||||||||||||||||||||||||||||||
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検出器 | 名称: Pilatus 2M | ||||||||||||||||||||||||||||||
スキャン | タイトル: Naringenin-bound CHI / 測定日: 2013年9月23日 / 保管温度: 10 °C / セル温度: 10 °C / 照射時間: 0.05 sec. / フレーム数: 20 / 単位: 1/nm /
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距離分布関数 P(R) | ソフトウェア P(R): GNOM 5.0 / ポイント数: 735 /
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結果 | カーブのタイプ: extrapolated コメント: Concentrations used: 13.5 µM CHI, 1 mM naringenin.
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