- PDB-4ict: Substrate and reaction specificity of Mycobacterium tuberculosis ... -
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基本情報
登録情報
データベース: PDB / ID: 4ict
タイトル
Substrate and reaction specificity of Mycobacterium tuberculosis cytochrome P450 CYP121
要素
Cytochrome P450 121
キーワード
OXIDOREDUCTASE / Protein-ligand complex
機能・相同性
機能・相同性情報
mycocyclosin synthase / oxidoreductase activity, acting on paired donors, with oxidation of a pair of donors resulting in the reduction of molecular oxygen to two molecules of water / cyclase activity / carbon monoxide binding / cholest-4-en-3-one 26-monooxygenase activity / steroid hydroxylase activity / cholesterol catabolic process / monooxygenase activity / oxidoreductase activity / iron ion binding ...mycocyclosin synthase / oxidoreductase activity, acting on paired donors, with oxidation of a pair of donors resulting in the reduction of molecular oxygen to two molecules of water / cyclase activity / carbon monoxide binding / cholest-4-en-3-one 26-monooxygenase activity / steroid hydroxylase activity / cholesterol catabolic process / monooxygenase activity / oxidoreductase activity / iron ion binding / heme binding / cytoplasm 類似検索 - 分子機能
構造決定の手法: フーリエ合成 / 解像度: 1.8→31.46 Å / Cor.coef. Fo:Fc: 0.952 / Cor.coef. Fo:Fc free: 0.94 / SU B: 5.611 / SU ML: 0.08 / 交差検証法: THROUGHOUT / ESU R: 0.21 / ESU R Free: 0.124 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD / 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
反射数
%反射
Selection details
Rfree
0.22846
2260
5 %
RANDOM
Rwork
0.17763
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-
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obs
0.18016
42581
99.63 %
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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