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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: 6udm | ||||||
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タイトル | Structure of Human Cytochrome P450 1A1 with Duocarmycin Prodrug (S) ICT-2726 | ||||||
![]() | Cytochrome P450 1A1 | ||||||
![]() | OXIDOREDUCTASE / CYP1A1 / P450 / Duocarmycin | ||||||
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 | ||||||
生物種 | ![]() | ||||||
手法 | ![]() ![]() ![]() | ||||||
![]() | Bart, A.G. / Scott, E.E. | ||||||
資金援助 | ![]()
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![]() | ![]() タイトル: Cytochrome P450 binding and bioactivation of tumor-targeted duocarmycin agents 著者: Bart, A.G. / Morais, G. / Vangala, V.R. / Loadman, P.M. / Pors, K. / 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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PDBx/mmCIF形式 | ![]() | 706.5 KB | 表示 | ![]() |
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PDB形式 | ![]() | 593.4 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 | ![]() | 3 MB | 表示 | ![]() |
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文書・詳細版 | ![]() | 3.1 MB | 表示 | |
XML形式データ | ![]() | 65.3 KB | 表示 | |
CIF形式データ | ![]() | 85 KB | 表示 | |
アーカイブディレクトリ | ![]() ![]() | HTTPS FTP |
-関連構造データ
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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) ![]() ![]() 参照: UniProt: P04798, unspecific monooxygenase, hydroperoxy icosatetraenoate dehydratase #2: 化合物 | ChemComp-HEM / #3: 化合物 | ChemComp-Q4P / [( #4: 化合物 | ChemComp-CPS / | 研究の焦点であるリガンドがあるか | Y | |
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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: 4.66 Å3/Da / 溶媒含有率: 73.58 % |
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結晶化 | 温度: 277.15 K / 手法: 蒸気拡散法, シッティングドロップ法 詳細: 0.16 M sodium phosphate dibasic, 16% w/v PEG3350, 1.8 mM n-decyl-B-D-maltoside |
-データ収集
回折 | 平均測定温度: 100 K / Serial crystal experiment: N | |||||||||||||||||||||||||||
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放射光源 | 由来: ![]() ![]() ![]() | |||||||||||||||||||||||||||
検出器 | タイプ: DECTRIS PILATUS 6M / 検出器: PIXEL / 日付: 2018年4月8日 | |||||||||||||||||||||||||||
放射 | モノクロメーター: double crystal Si(111) / 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: 0.9795 Å / 相対比: 1 | |||||||||||||||||||||||||||
反射 | 解像度: 3.07→39.64 Å / Num. obs: 77258 / % possible obs: 99 % / 冗長度: 10.1 % / CC1/2: 0.997 / Rmerge(I) obs: 0.164 / Rpim(I) all: 0.054 / Rrim(I) all: 0.173 / Net I/σ(I): 9.7 | |||||||||||||||||||||||||||
反射 シェル | Diffraction-ID: 1
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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 4I8V 解像度: 3.075→39.64 Å / SU ML: 0.37 / 交差検証法: THROUGHOUT / σ(F): 1.33 / 位相誤差: 23.56
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溶媒の処理 | 減衰半径: 0.9 Å / VDWプローブ半径: 1.11 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
原子変位パラメータ | Biso max: 181.35 Å2 / Biso mean: 88.3601 Å2 / Biso min: 30 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
精密化ステップ | サイクル: final / 解像度: 3.075→39.64 Å
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LS精密化 シェル | Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0
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