+データを開く
-基本情報
登録情報 | データベース: PDB / ID: 3ny9 | ||||||
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タイトル | Crystal structure of the human beta2 adrenergic receptor in complex with a novel inverse agonist | ||||||
要素 | Beta-2 adrenergic receptor, Lysozyme | ||||||
キーワード | MEMBRANE PROTEIN (膜タンパク質) / G Protein-coupled receptor (Gタンパク質共役受容体) / Lysozyme (リゾチーム) / Fusion / Transducer (トランスデューサー) / Adrenergic / G-Proteins (Gタンパク質) / Arrestins (アレスチン) / Adrenalin / Compound 2 / Glycosylation (グリコシル化) / Palmitoylation (パルミトイル化反応) / Phosphorylation (リン酸化) / HYDROLASE (加水分解酵素) / Structural Genomics (構造ゲノミクス) / PSI-2 / Protein Structure Initiative / Accelerated Technologies Center for Gene to 3D Structure / ATCG3D / GPCR Network / GPCR (Gタンパク質共役受容体) | ||||||
機能・相同性 | 機能・相同性情報 desensitization of G protein-coupled receptor signaling pathway by arrestin / beta2-adrenergic receptor activity / norepinephrine-epinephrine-mediated vasodilation involved in regulation of systemic arterial blood pressure / positive regulation of mini excitatory postsynaptic potential / positive regulation of cAMP-dependent protein kinase activity / norepinephrine binding / アドレナリン受容体 / 熱力学 / positive regulation of autophagosome maturation / positive regulation of AMPA receptor activity ...desensitization of G protein-coupled receptor signaling pathway by arrestin / beta2-adrenergic receptor activity / norepinephrine-epinephrine-mediated vasodilation involved in regulation of systemic arterial blood pressure / positive regulation of mini excitatory postsynaptic potential / positive regulation of cAMP-dependent protein kinase activity / norepinephrine binding / アドレナリン受容体 / 熱力学 / positive regulation of autophagosome maturation / positive regulation of AMPA receptor activity / activation of transmembrane receptor protein tyrosine kinase activity / negative regulation of smooth muscle contraction / positive regulation of lipophagy / response to psychosocial stress / negative regulation of multicellular organism growth / endosome to lysosome transport / adrenergic receptor signaling pathway / diet induced thermogenesis / neuronal dense core vesicle / positive regulation of protein kinase A signaling / adenylate cyclase binding / smooth muscle contraction / potassium channel regulator activity / positive regulation of bone mineralization / adenylate cyclase-activating adrenergic receptor signaling pathway / brown fat cell differentiation / regulation of sodium ion transport / bone resorption / viral release from host cell by cytolysis / activation of adenylate cyclase activity / receptor-mediated endocytosis / response to cold / peptidoglycan catabolic process / clathrin-coated endocytic vesicle membrane / adenylate cyclase-modulating G protein-coupled receptor signaling pathway / positive regulation of protein serine/threonine kinase activity / cellular response to amyloid-beta / cell wall macromolecule catabolic process / Cargo recognition for clathrin-mediated endocytosis / リゾチーム / Clathrin-mediated endocytosis / lysozyme activity / amyloid-beta binding / positive regulation of cold-induced thermogenesis / G alpha (s) signalling events / host cell cytoplasm / positive regulation of MAPK cascade / transcription by RNA polymerase II / リソソーム / cell surface receptor signaling pathway / エンドソーム / receptor complex / endosome membrane / Ub-specific processing proteases / エンドソーム / defense response to bacterium / apical plasma membrane / protein-containing complex binding / ゴルジ体 / protein homodimerization activity / positive regulation of transcription by RNA polymerase II / 生体膜 / identical protein binding / 細胞核 / 細胞膜 類似検索 - 分子機能 | ||||||
生物種 | Homo sapiens (ヒト) Enterobacteria phage T4 (ファージ) | ||||||
手法 | X線回折 / シンクロトロン / 分子置換 / 解像度: 2.84 Å | ||||||
データ登録者 | Fenalti, G. / Wacker, D. / Brown, M.A. / Katritch, V. / Abagyan, R. / Cherezov, V. / Stevens, R.C. / Accelerated Technologies Center for Gene to 3D Structure (ATCG3D) / GPCR Network (GPCR) | ||||||
引用 | ジャーナル: J.Am.Chem.Soc. / 年: 2010 タイトル: Conserved Binding Mode of Human beta(2) Adrenergic Receptor Inverse Agonists and Antagonist Revealed by X-ray Crystallography 著者: Wacker, D. / Fenalti, G. / Brown, M.A. / Katritch, V. / Abagyan, R. / Cherezov, V. / Stevens, R.C. | ||||||
履歴 |
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-構造の表示
構造ビューア | 分子: MolmilJmol/JSmol |
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-ダウンロードとリンク
-ダウンロード
PDBx/mmCIF形式 | 3ny9.cif.gz | 106.9 KB | 表示 | PDBx/mmCIF形式 |
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PDB形式 | pdb3ny9.ent.gz | 78.5 KB | 表示 | PDB形式 |
PDBx/mmJSON形式 | 3ny9.json.gz | ツリー表示 | PDBx/mmJSON形式 | |
その他 | その他のダウンロード |
-検証レポート
アーカイブディレクトリ | https://data.pdbj.org/pub/pdb/validation_reports/ny/3ny9 ftp://data.pdbj.org/pub/pdb/validation_reports/ny/3ny9 | HTTPS FTP |
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-関連構造データ
-リンク
-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: 55957.926 Da / 分子数: 1 断片: Chimeric protein of Beta-2 Adrenoreceptor 1-230, Lysozyme 2-161, Beta-2 adrenergic receptor 263-348 変異: E122W, N187E, C1054T, C1097A / 由来タイプ: 組換発現 由来: (組換発現) Homo sapiens (ヒト), (組換発現) Enterobacteria phage T4 (ファージ) 遺伝子: ADRB2, ADRB2R, B2AR, E / プラスミド: PFASTBAC 発現宿主: Spodoptera frugiperda (ツマジロクサヨトウ) 株 (発現宿主): Sf9 / 参照: UniProt: P07550, UniProt: P00720 | ||||||
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#2: 化合物 | #3: 化合物 | ChemComp-JSZ / | #4: 化合物 | ChemComp-OLC / ( | #5: 水 | ChemComp-HOH / | |
-実験情報
-実験
実験 | 手法: X線回折 / 使用した結晶の数: 10 |
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-試料調製
結晶 | マシュー密度: 2.4 Å3/Da / 溶媒含有率: 48.68 % |
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結晶化 | 温度: 293 K 詳細: 100 mM Tris/HCl pH 7.5-8, 5% 1,4 butanediol, 220 mM Na-formate, 27% PEG 400, Lipidic Cubic Phase (LCP) Crystallization, temperature 293-295K PH範囲: 7.5-8.0 |
-データ収集
回折 |
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放射光源 |
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検出器 |
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放射 |
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放射波長 | 波長: 1.0332 Å / 相対比: 1 | ||||||||||||||||||
反射 | 解像度: 2.84→40 Å / Num. all: 13388 / Num. obs: 12234 / % possible obs: 91.4 % / Observed criterion σ(I): -3 / 冗長度: 3.84 % / Rsym value: 0.131 / Net I/σ(I): 7.08 | ||||||||||||||||||
反射 シェル | 解像度: 2.84→2.98 Å / 冗長度: 2.93 % / Mean I/σ(I) obs: 1.99 / Num. unique all: 1749 / Rsym value: 0.43 / % possible all: 82 |
-解析
ソフトウェア |
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精密化 | 構造決定の手法: 分子置換 開始モデル: PDB entry 3D4S 解像度: 2.84→37.77 Å / Cor.coef. Fo:Fc: 0.933 / Cor.coef. Fo:Fc free: 0.889 / SU B: 19.156 / SU ML: 0.372 / 交差検証法: THROUGHOUT / ESU R Free: 0.446 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD / 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
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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: 1.4 Å / 溶媒モデル: BABINET MODEL WITH MASK | |||||||||||||||||||||||||||||||||||||||||||||
原子変位パラメータ | Biso mean: 58.384 Å2
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精密化ステップ | サイクル: LAST / 解像度: 2.84→37.77 Å
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拘束条件 |
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LS精密化 シェル | 解像度: 2.84→2.913 Å / Total num. of bins used: 20
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