- PDB-3npl: Structure of Ru(bpy)2(A-Phen)(K97C) P450 BM3 heme domain, a ruthe... -
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基本情報
登録情報
データベース: PDB / ID: 3npl
タイトル
Structure of Ru(bpy)2(A-Phen)(K97C) P450 BM3 heme domain, a ruthenium modified P450 BM3 mutant
要素
Bifunctional P-450/NADPH-P450 reductase
キーワード
OXIDOREDUCTASE / P450 BM3 heme domain / mutant proteins / electron transfer
機能・相同性
機能・相同性情報
NADPH-hemoprotein reductase / NADPH-hemoprotein reductase activity / oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, reduced flavin or flavoprotein as one donor, and incorporation of one atom of oxygen / unspecific monooxygenase / aromatase activity / response to hormone / FMN binding / flavin adenine dinucleotide binding / iron ion binding / heme binding ...NADPH-hemoprotein reductase / NADPH-hemoprotein reductase activity / oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, reduced flavin or flavoprotein as one donor, and incorporation of one atom of oxygen / unspecific monooxygenase / aromatase activity / response to hormone / FMN binding / flavin adenine dinucleotide binding / iron ion binding / heme binding / identical protein binding / cytosol 類似検索 - 分子機能
解像度: 2.4→10 Å / Cor.coef. Fo:Fc: 0.941 / Cor.coef. Fo:Fc free: 0.917 / WRfactor Rfree: 0.232 / WRfactor Rwork: 0.1954 / Occupancy max: 1 / Occupancy min: 0.2 / FOM work R set: 0.8543 / SU B: 5.814 / SU ML: 0.134 / SU R Cruickshank DPI: 0.2263 / SU Rfree: 0.1976 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R Free: 0.198 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES: REFINED INDIVIDUALLY
Rfactor
反射数
%反射
Selection details
Rfree
0.2382
3677
5 %
RANDOM
Rwork
0.2008
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obs
0.2027
73020
98.67 %
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溶媒の処理
イオンプローブ半径: 0.8 Å / 減衰半径: 0.8 Å / VDWプローブ半径: 1.2 Å / 溶媒モデル: MASK