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データを開く
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基本情報
登録情報 | データベース: PDB / ID: 4i8v | ||||||
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タイトル | Human Cytochrome P450 1A1 in complex with alpha-naphthoflavone | ||||||
![]() | Cytochrome P450 1A1 | ||||||
![]() | OXIDOREDUCTASE / monooxygenase / cytochrome P450 / P450 / CYP1A1 / P450 1A1 / heme / aryl hydrocarbon hydroxylase | ||||||
機能・相同性 | ![]() arachidonic acid monooxygenase activity / ethylene metabolic process / flavonoid 3'-monooxygenase activity / insecticide metabolic process / dibenzo-p-dioxin catabolic process / long-chain fatty acid omega-hydroxylase activity / oxidoreductase activity, acting on diphenols and related substances as donors / long-chain fatty acid omega-1 hydroxylase activity / 9-cis-retinoic acid biosynthetic process / hydroperoxy icosatetraenoate dehydratase ...arachidonic acid monooxygenase activity / ethylene metabolic process / flavonoid 3'-monooxygenase activity / insecticide metabolic process / dibenzo-p-dioxin catabolic process / long-chain fatty acid omega-hydroxylase activity / oxidoreductase activity, acting on diphenols and related substances as donors / long-chain fatty acid omega-1 hydroxylase activity / 9-cis-retinoic acid biosynthetic process / hydroperoxy icosatetraenoate dehydratase / hydroperoxy icosatetraenoate dehydratase activity / steroid 17-alpha-monooxygenase activity / : / Synthesis of (16-20)-hydroxyeicosatetraenoic acids (HETE) / omega-hydroxylase P450 pathway / coumarin metabolic process / response to 3-methylcholanthrene / maternal process involved in parturition / flavonoid metabolic process / porphyrin-containing compound metabolic process / response to iron(III) ion / hormone biosynthetic process / long-chain fatty acid metabolic process / Biosynthesis of protectins / epoxygenase P450 pathway / tissue remodeling / response to nematode / vitamin D 24-hydroxylase activity / estrogen 16-alpha-hydroxylase activity / estrogen 2-hydroxylase activity / lipid hydroxylation / demethylase activity / Synthesis of epoxy (EET) and dihydroxyeicosatrienoic acids (DHET) / progesterone metabolic process / vitamin D metabolic process / hepatocyte differentiation / steroid biosynthetic process / Xenobiotics / amine metabolic process / response to arsenic-containing substance / camera-type eye development / digestive tract development / response to vitamin A / hydrogen peroxide biosynthetic process / long-chain fatty acid biosynthetic process / response to herbicide / estrogen metabolic process / retinol metabolic process / response to food / unspecific monooxygenase / aromatase activity / nitric oxide metabolic process / steroid metabolic process / cellular response to organic cyclic compound / response to immobilization stress / response to hyperoxia / positive regulation of G1/S transition of mitotic cell cycle / cellular response to copper ion / Hsp70 protein binding / monooxygenase activity / xenobiotic metabolic process / fatty acid metabolic process / Hsp90 protein binding / PPARA activates gene expression / oxygen binding / response to lipopolysaccharide / mitochondrial inner membrane / oxidoreductase activity / response to hypoxia / iron ion binding / intracellular membrane-bounded organelle / heme binding / endoplasmic reticulum membrane / enzyme binding 類似検索 - 分子機能 | ||||||
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手法 | ![]() ![]() ![]() | ||||||
![]() | Walsh, A.A. / Scott, E.E. | ||||||
![]() | ![]() タイトル: Human Cytochrome P450 1A1 Structure and Utility in Understanding Drug and Xenobiotic Metabolism. 著者: Walsh, A.A. / Szklarz, G.D. / Scott, E.E. | ||||||
履歴 |
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構造の表示
構造ビューア | 分子: ![]() ![]() |
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ダウンロードとリンク
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ダウンロード
PDBx/mmCIF形式 | ![]() | 387.3 KB | 表示 | ![]() |
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PDB形式 | ![]() | 318.9 KB | 表示 | ![]() |
PDBx/mmJSON形式 | ![]() | ツリー表示 | ![]() | |
その他 | ![]() |
-検証レポート
文書・要旨 | ![]() | 2.6 MB | 表示 | ![]() |
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文書・詳細版 | ![]() | 2.7 MB | 表示 | |
XML形式データ | ![]() | 70 KB | 表示 | |
CIF形式データ | ![]() | 94 KB | 表示 | |
アーカイブディレクトリ | ![]() ![]() | HTTPS FTP |
-関連構造データ
関連構造データ | ![]() 2hi4S S: 精密化の開始モデル |
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類似構造データ |
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リンク
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集合体
登録構造単位 | ![]()
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単位格子 |
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要素
#1: タンパク質 | 分子量: 55944.156 Da / 分子数: 4 / 断片: UNP residues 35-512 / 由来タイプ: 組換発現 / 由来: (組換発現) ![]() ![]() ![]() #2: 化合物 | ChemComp-HEM / #3: 化合物 | ChemComp-BHF / #4: 化合物 | #5: 水 | ChemComp-HOH / | |
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-実験情報
-実験
実験 | 手法: ![]() |
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試料調製
結晶 | マシュー密度: 3.35 Å3/Da / 溶媒含有率: 63.27 % |
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結晶化 | 温度: 277.5 K / 手法: 蒸気拡散法, ハンギングドロップ法 / pH: 8.5 詳細: 20% PEG 3350, 0.1 M bis-tris propane/HCl, 200 mM sodium malonate, 14% glycerol, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277.5K |
-データ収集
回折 | 平均測定温度: 100 K |
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放射光源 | 由来: ![]() ![]() ![]() |
検出器 | タイプ: MARMOSAIC 325 mm CCD / 検出器: CCD / 日付: 2011年7月18日 / 詳細: RH coated flat mirror, toroidal focusing mirror |
放射 | プロトコル: SINGLE WAVELENGTH / 単色(M)・ラウエ(L): M / 散乱光タイプ: x-ray |
放射波長 | 波長: 0.97957 Å / 相対比: 1 |
反射 | 解像度: 2.6→38.24 Å / Num. obs: 93519 / % possible obs: 99.9 % / 冗長度: 7.3 % / Net I/σ(I): 12.6 |
反射 シェル | 解像度: 2.6→2.67 Å / 冗長度: 7 % / Mean I/σ(I) obs: 12.3 / Num. unique all: 6776 / % possible all: 100 |
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解析
ソフトウェア |
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精密化 | 構造決定の手法: ![]() 開始モデル: PDB ENTRY 2HI4 解像度: 2.6→38.24 Å / Cor.coef. Fo:Fc: 0.959 / Cor.coef. Fo:Fc free: 0.932 / SU B: 9.695 / SU ML: 0.207 / 交差検証法: THROUGHOUT / ESU R: 0.381 / ESU R Free: 0.27 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD
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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 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
原子変位パラメータ | Biso mean: 73.472 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
精密化ステップ | サイクル: LAST / 解像度: 2.6→38.24 Å
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拘束条件 |
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LS精密化 シェル | 解像度: 2.6→2.668 Å / Total num. of bins used: 20
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