+データを開く
-基本情報
登録情報 | データベース: PDB / ID: 3ms9 | ||||||
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タイトル | ABL kinase in complex with imatinib and a fragment (FRAG1) in the myristate pocket | ||||||
要素 | Tyrosine-protein kinase ABL1 | ||||||
キーワード | TRANSFERASE/TRANSFERASE REGULATOR / kinase (キナーゼ) / fragment-based screening / FBS / TRANSFERASE (転移酵素) / TRANSFERASE-TRANSFERASE REGULATOR complex | ||||||
機能・相同性 | 機能・相同性情報 Role of ABL in ROBO-SLIT signaling / HDR through Single Strand Annealing (SSA) / RHO GTPases Activate WASPs and WAVEs / Cyclin D associated events in G1 / Recruitment and ATM-mediated phosphorylation of repair and signaling proteins at DNA double strand breaks / transitional one stage B cell differentiation / protein localization to cytoplasmic microtubule plus-end / DNA conformation change / circulatory system development / podocyte apoptotic process ...Role of ABL in ROBO-SLIT signaling / HDR through Single Strand Annealing (SSA) / RHO GTPases Activate WASPs and WAVEs / Cyclin D associated events in G1 / Recruitment and ATM-mediated phosphorylation of repair and signaling proteins at DNA double strand breaks / transitional one stage B cell differentiation / protein localization to cytoplasmic microtubule plus-end / DNA conformation change / circulatory system development / podocyte apoptotic process / DN4 thymocyte differentiation / RUNX1 regulates transcription of genes involved in differentiation of HSCs / response to epinephrine / regulation of cellular senescence / regulation of modification of synaptic structure / delta-catenin binding / B cell proliferation involved in immune response / positive regulation of extracellular matrix organization / Regulation of actin dynamics for phagocytic cup formation / neuroepithelial cell differentiation / microspike assembly / positive regulation of Wnt signaling pathway, planar cell polarity pathway / regulation of extracellular matrix organization / cerebellum morphogenesis / positive regulation of blood vessel branching / B-1 B cell homeostasis / neuropilin signaling pathway / neuropilin binding / Myogenesis / bubble DNA binding / activated T cell proliferation / regulation of Cdc42 protein signal transduction / proline-rich region binding / positive regulation of dendrite development / mitogen-activated protein kinase binding / myoblast proliferation / alpha-beta T cell differentiation / syntaxin binding / cardiac muscle cell proliferation / regulation of T cell differentiation / regulation of axon extension / negative regulation of double-strand break repair via homologous recombination / positive regulation of cell migration involved in sprouting angiogenesis / negative regulation of cell-cell adhesion / regulation of microtubule polymerization / B cell proliferation / positive regulation of osteoblast proliferation / cell leading edge / platelet-derived growth factor receptor-beta signaling pathway / positive regulation of focal adhesion assembly / negative regulation of cellular senescence / Bergmann glial cell differentiation / 学習 / neuromuscular process controlling balance / platelet-derived growth factor receptor signaling pathway / negative regulation of BMP signaling pathway / negative regulation of mitotic cell cycle / negative regulation of long-term synaptic potentiation / endothelial cell migration / positive regulation of T cell migration / canonical NF-kappaB signal transduction / BMP signaling pathway / 食作用 / negative regulation of endothelial cell apoptotic process / four-way junction DNA binding / signal transduction in response to DNA damage / positive regulation of substrate adhesion-dependent cell spreading / positive regulation of vasoconstriction / positive regulation of stress fiber assembly / spleen development / ERK1 and ERK2 cascade / ruffle / cellular response to transforming growth factor beta stimulus / positive regulation of establishment of T cell polarity / actin filament polymerization / positive regulation of interleukin-2 production / phosphotyrosine residue binding / response to endoplasmic reticulum stress / SH2 domain binding / ephrin receptor binding / positive regulation of mitotic cell cycle / substrate adhesion-dependent cell spreading / post-embryonic development / positive regulation of release of sequestered calcium ion into cytosol / positive regulation of endothelial cell migration / protein kinase C binding / thymus development / neural tube closure / integrin-mediated signaling pathway / establishment of localization in cell / regulation of actin cytoskeleton organization / B cell receptor signaling pathway / non-specific protein-tyrosine kinase / non-membrane spanning protein tyrosine kinase activity / epidermal growth factor receptor signaling pathway / negative regulation of ERK1 and ERK2 cascade / 細胞接着 / neuron differentiation / cellular response to hydrogen peroxide / オートファジー 類似検索 - 分子機能 | ||||||
生物種 | Mus musculus (ハツカネズミ) | ||||||
手法 | X線回折 / シンクロトロン / フーリエ合成 / 解像度: 1.8 Å | ||||||
データ登録者 | Cowan-Jacob, S.W. / Rummel, G. / Fendrich, G. | ||||||
引用 | ジャーナル: J.Am.Chem.Soc. / 年: 2010 タイトル: Binding or bending: distinction of allosteric Abl kinase agonists from antagonists by an NMR-based conformational assay. 著者: Jahnke, W. / Grotzfeld, R.M. / Pelle, X. / Strauss, A. / Fendrich, G. / Cowan-Jacob, S.W. / Cotesta, S. / Fabbro, D. / Furet, P. / Mestan, J. / Marzinzik, A.L. | ||||||
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 | 3ms9.cif.gz | 136.1 KB | 表示 | PDBx/mmCIF形式 |
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PDB形式 | pdb3ms9.ent.gz | 106.3 KB | 表示 | PDB形式 |
PDBx/mmJSON形式 | 3ms9.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/ms/3ms9 ftp://data.pdbj.org/pub/pdb/validation_reports/ms/3ms9 | 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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2 |
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単位格子 |
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Components on special symmetry positions |
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-要素
#1: タンパク質 | 分子量: 33743.523 Da / 分子数: 2 / 断片: KINASE DOMAIN, residues 229-515 / 由来タイプ: 組換発現 / 由来: (組換発現) Mus musculus (ハツカネズミ) / 遺伝子: Abl1, Abl 発現宿主: Spodoptera frugiperda (ツマジロクサヨトウ) 参照: UniProt: P00520, non-specific protein-tyrosine kinase #2: 化合物 | #3: 化合物 | #4: 化合物 | ChemComp-CL / #5: 水 | ChemComp-HOH / | |
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-実験情報
-実験
実験 | 手法: X線回折 / 使用した結晶の数: 1 |
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-試料調製
結晶 | マシュー密度: 2.41 Å3/Da / 溶媒含有率: 49.06 % |
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結晶化 | 温度: 277 K / 手法: 蒸気拡散法 / pH: 6.5 詳細: protein concentration: 20mg/ml. Crystallisation buffer: 0.1M MES pH 6.5, 0.2M MgCl2, 18.4% PEG4000, VAPOR DIFFUSION, temperature 277K |
-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: シンクロトロン / サイト: SLS / ビームライン: X10SA / 波長: 1 Å |
検出器 | タイプ: MARMOSAIC 225 mm CCD / 検出器: CCD / 日付: 2006年8月11日 |
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: 1 Å / 相対比: 1 |
反射 | 解像度: 1.8→33.92 Å / Num. all: 58848 / Num. obs: 58848 / % possible obs: 97.6 % / Observed criterion σ(F): 0 / 冗長度: 4 % / Rmerge(I) obs: 0.065 / Net I/σ(I): 11.38 |
反射 シェル | 解像度: 1.8→1.88 Å / 冗長度: 2.6 % / Rmerge(I) obs: 0.365 / Mean I/σ(I) obs: 2.58 / Num. unique all: 6016 / % possible all: 83.3 |
-解析
ソフトウェア |
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精密化 | 構造決定の手法: フーリエ合成 / 解像度: 1.8→33.92 Å / Cor.coef. Fo:Fc: 0.959 / Cor.coef. Fo:Fc free: 0.936 / SU B: 2.524 / SU ML: 0.081 / 交差検証法: THROUGHOUT / ESU R Free: 0.129 / 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: MASK | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
原子変位パラメータ | Biso mean: 31.212 Å2
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精密化ステップ | サイクル: LAST / 解像度: 1.8→33.92 Å
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拘束条件 |
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LS精密化 シェル | 解像度: 1.804→1.851 Å / Total num. of bins used: 20
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