- PDB-2jjp: Structure of cytochrome P450 EryK in complex with inhibitor ketoc... -
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IDまたはキーワード:
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基本情報
登録情報
データベース: PDB / ID: 2jjp
タイトル
Structure of cytochrome P450 EryK in complex with inhibitor ketoconazole (KC)
要素
CYTOCHROME P450 113A1
キーワード
OXIDOREDUCTASE / IRON / HEME / MONOOXYGENASE / METAL-BINDING / ANTIBIOTIC BIOSYNTHESIS / TIE-ROD MECHANISM OF ACTION / SUBSTRATE SPECIFICITY
機能・相同性
機能・相同性情報
erythromycin 12-hydroxylase / macrolide biosynthetic process / oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, NAD(P)H as one donor, and incorporation of one atom of oxygen / cholest-4-en-3-one 26-monooxygenase activity / steroid hydroxylase activity / cholesterol catabolic process / monooxygenase activity / NADP binding / iron ion binding / heme binding 類似検索 - 分子機能
解像度: 2.1→56.7 Å / Cor.coef. Fo:Fc: 0.95 / Cor.coef. Fo:Fc free: 0.905 / SU B: 6.695 / SU ML: 0.176 / 交差検証法: THROUGHOUT / ESU R: 0.309 / ESU R Free: 0.237 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. COORDINATE START FROM A.A. 15 BECAUSE THERE WAS NOT ELECTRON DENSITY FOR PREVIOUS RESIDUES
Rfactor
反射数
%反射
Selection details
Rfree
0.262
1109
5.1 %
RANDOM
Rwork
0.195
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obs
0.199
20602
91.4 %
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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: BABINET MODEL WITH MASK