2YFL
Crystal Structure of Biphenyl dioxygenase variant RR41 with 2-chloro dibenzofuran
2YFL の概要
エントリーDOI | 10.2210/pdb2yfl/pdb |
関連するPDBエントリー | 2XR8 2XRX 2XSH 2XSO 2YFI 2YFJ |
分子名称 | BIPHENYL DIOXYGENASE SUBUNIT ALPHA, BIPHENYL DIOXYGENASE SUBUNIT BETA, FE2/S2 (INORGANIC) CLUSTER, ... (6 entities in total) |
機能のキーワード | oxidoreductase, degradation, bpdo |
由来する生物種 | BURKHOLDERIA XENOVORANS 詳細 |
タンパク質・核酸の鎖数 | 12 |
化学式量合計 | 443852.73 |
構造登録者 | |
主引用文献 | Kumar, P.,Mohammadi, M.,Dhindwal, S.,Pham, T.T.,Bolin, J.T.,Sylvestre, M. Structural Insights Into the Metabolism of 2-Chlorodibenzofuran by an Evolved Biphenyl Dioxygenase. Biochem.Biophys.Res.Commun., 421:757-, 2012 Cited by PubMed Abstract: The biphenyl dioxygenase of Burkholderia xenovorans LB400 (BphAE(LB400)) is a Rieske-type oxygenase that catalyzes the stereospecific oxygenation of many heterocyclic aromatics including dibenzofuran. In a previous work, we evolved BphAE(LB400) and obtained BphAE(RR41). This variant metabolizes dibenzofuran and 2-chlorodibenzofuran more efficiently than BphAE(LB400). However, the regiospecificity of BphAE(RR41) toward these substrates differs. Dibenzofuran is metabolized principally through a lateral dioxygenation whereas 2-chlorodibenzofuran is metabolized principally through an angular dioxygenation. In order to explain this difference, we examined the crystal structures of both substrate-bound forms of BphAE(RR41) obtained under anaerobic conditions. This structure analysis, in combination with biochemical data for a Ser283Gly mutant provided evidences that the substrate is compelled to move after oxygen-binding in BphAE(RR41):dibenzofuran. In BphAE(RR41):2-chlorodibenzofuran, the chlorine atom is close to the side chain of Ser283. This contact is missing in the BphAE(RR41):dibenzofuran, and strong enough in the BphAE(RR41):2-chlorodibenzofuran to help prevent substrate movement during the catalytic reaction. PubMed: 22546558DOI: 10.1016/J.BBRC.2012.04.078 主引用文献が同じPDBエントリー |
実験手法 | X-RAY DIFFRACTION (2.6 Å) |
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