+データを開く
-基本情報
登録情報 | データベース: PDB / ID: 2v7a | ||||||
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タイトル | Crystal structure of the T315I Abl mutant in complex with the inhibitor PHA-739358 | ||||||
要素 | PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ABL1 | ||||||
キーワード | TRANSFERASE (転移酵素) / KINASE (キナーゼ) / NUCLEUS (細胞核) / MYRISTATE (ミリスチン酸) / CYTOPLASM (細胞質) / MANGANESE (マンガン) / CELL ADHESION (細胞接着) / METAL-BINDING / PROTO-ONCOGENE (がん遺伝子) / TYROSINE-PROTEIN KINASE / CHROMOSOMAL REARRANGEMENT / LIPOPROTEIN (リポタンパク質) / POLYMORPHISM / CYTOSKELETON (細胞骨格) / MAGNESIUM (マグネシウム) / SH2 DOMAIN (SH2ドメイン) / SH3 DOMAIN (SH3ドメイン) / ATP-BINDING / NUCLEOTIDE-BINDING / ALTERNATIVE SPLICING (選択的スプライシング) / PHOSPHORYLATION (リン酸化) / KINASE INHIBITOR / T315I ABL MUTANT | ||||||
機能・相同性 | 機能・相同性情報 negative regulation of phospholipase C activity / positive regulation of actin filament binding / positive regulation of oxidoreductase activity / transitional one stage B cell differentiation / protein localization to cytoplasmic microtubule plus-end / DNA conformation change / podocyte apoptotic process / DN4 thymocyte differentiation / Role of ABL in ROBO-SLIT signaling / response to epinephrine ...negative regulation of phospholipase C activity / positive regulation of actin filament binding / positive regulation of oxidoreductase activity / transitional one stage B cell differentiation / protein localization to cytoplasmic microtubule plus-end / DNA conformation change / podocyte apoptotic process / DN4 thymocyte differentiation / Role of ABL in ROBO-SLIT signaling / response to epinephrine / activation of protein kinase C activity / nicotinate-nucleotide adenylyltransferase activity / regulation of modification of synaptic structure / positive regulation of extracellular matrix organization / positive regulation of microtubule binding / delta-catenin binding / B cell proliferation involved in immune response / neuroepithelial cell differentiation / microspike assembly / positive regulation of Wnt signaling pathway, planar cell polarity pathway / cerebellum morphogenesis / positive regulation of blood vessel branching / B-1 B cell homeostasis / mitochondrial depolarization / negative regulation of ubiquitin-protein transferase activity / neuropilin signaling pathway / neuropilin binding / bubble DNA binding / regulation of Cdc42 protein signal transduction / negative regulation of protein serine/threonine kinase activity / activated T cell proliferation / cellular response to dopamine / regulation of cell motility / regulation of axon extension / proline-rich region binding / positive regulation of dendrite development / mitogen-activated protein kinase binding / myoblast proliferation / alpha-beta T cell differentiation / regulation of hematopoietic stem cell differentiation / syntaxin binding / cardiac muscle cell proliferation / HDR through Single Strand Annealing (SSA) / regulation of T cell differentiation / negative regulation of double-strand break repair via homologous recombination / positive regulation of cell migration involved in sprouting angiogenesis / Fc-gamma receptor signaling pathway involved in phagocytosis / negative regulation of cell-cell adhesion / Myogenesis / regulation of microtubule polymerization / positive regulation of osteoblast proliferation / RUNX2 regulates osteoblast differentiation / platelet-derived growth factor receptor-beta signaling pathway / positive regulation of focal adhesion assembly / negative regulation of cellular senescence / negative regulation of long-term synaptic potentiation / Bergmann glial cell differentiation / 学習 / neuromuscular process controlling balance / regulation of endocytosis / actin monomer binding / negative regulation of BMP signaling pathway / negative regulation of mitotic cell cycle / DNAミスマッチ修復 / endothelial cell migration / RHO GTPases Activate WASPs and WAVEs / positive regulation of T cell migration / canonical NF-kappaB signal transduction / BMP signaling pathway / negative regulation of endothelial cell apoptotic process / regulation of cell adhesion / positive regulation of substrate adhesion-dependent cell spreading / four-way junction DNA binding / signal transduction in response to DNA damage / peptidyl-tyrosine autophosphorylation / positive regulation of vasoconstriction / spleen development / positive regulation of stress fiber assembly / ruffle / ERK1 and ERK2 cascade / cellular response to transforming growth factor beta stimulus / positive regulation of establishment of T cell polarity / positive regulation of interleukin-2 production / actin filament polymerization / SH2 domain binding / response to endoplasmic reticulum stress / phosphotyrosine residue binding / ephrin receptor binding / positive regulation of mitotic cell cycle / substrate adhesion-dependent cell spreading / post-embryonic development / protein kinase C binding / positive regulation of release of sequestered calcium ion into cytosol / positive regulation of endothelial cell migration / thymus development / regulation of autophagy / neural tube closure / integrin-mediated signaling pathway / establishment of localization in cell / regulation of actin cytoskeleton organization 類似検索 - 分子機能 | ||||||
生物種 | HOMO SAPIENS (ヒト) | ||||||
手法 | X線回折 / シンクロトロン / 分子置換 / 解像度: 2.5 Å | ||||||
データ登録者 | Modugno, M. / Casale, E. / Soncini, C. / Rosettani, P. / Colombo, R. / Lupi, R. / Rusconi, L. / Fancelli, D. / Carpinelli, P. / Cameron, A.D. ...Modugno, M. / Casale, E. / Soncini, C. / Rosettani, P. / Colombo, R. / Lupi, R. / Rusconi, L. / Fancelli, D. / Carpinelli, P. / Cameron, A.D. / Isacchi, A. / Moll, J. | ||||||
引用 | ジャーナル: Cancer Res. / 年: 2007 タイトル: Crystal Structure of the T315I Abl Mutant in Complex with the Aurora Kinases Inhibitor Pha-739358. 著者: Modugno, M. / Casale, E. / Soncini, C. / Rosettani, P. / Colombo, R. / Lupi, R. / Rusconi, L. / Fancelli, D. / Carpinelli, P. / Cameron, A.D. / Isacchi, A. / Moll, J. | ||||||
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 | 2v7a.cif.gz | 129.2 KB | 表示 | PDBx/mmCIF形式 |
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PDB形式 | pdb2v7a.ent.gz | 100 KB | 表示 | PDB形式 |
PDBx/mmJSON形式 | 2v7a.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/v7/2v7a ftp://data.pdbj.org/pub/pdb/validation_reports/v7/2v7a | HTTPS FTP |
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-関連構造データ
関連構造データ | 1fpuS S: 精密化の開始モデル |
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類似構造データ |
-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: 33142.793 Da / 分子数: 2 / 断片: KINASE DOMAIN, RESIDUES 229-512 / 変異: YES / 由来タイプ: 組換発現 / 由来: (組換発現) HOMO SAPIENS (ヒト) / 細胞株 (発現宿主): High Five / 発現宿主: AUTOGRAPHA (蝶・蛾) 参照: UniProt: P00519, non-specific protein-tyrosine kinase #2: 化合物 | #3: 化合物 | #4: 水 | ChemComp-HOH / | 構成要素の詳細 | ENGINEERED | |
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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: 3.2 Å3/Da / 溶媒含有率: 61 % / 解説: NONE |
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結晶化 | 詳細: 20% PEG 4000 ,1M HEPES PH 7.0, 0.1 M MGCL2, |
-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: ESRF / ビームライン: ID14-1 / 波長: 0.93 |
検出器 | タイプ: ADSC CCD / 検出器: CCD / 日付: 2005年12月1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: 0.93 Å / 相対比: 1 |
反射 | 解像度: 2.5→30 Å / Num. obs: 29049 / % possible obs: 100 % / Observed criterion σ(I): 2 / 冗長度: 5 % / Rmerge(I) obs: 0.08 / Net I/σ(I): 12 |
反射 シェル | 解像度: 2.5→2.6 Å / 冗長度: 5 % / Rmerge(I) obs: 0.505 / Mean I/σ(I) obs: 2 / % possible all: 100 |
-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 1FPU 解像度: 2.5→30 Å / Cor.coef. Fo:Fc: 0.927 / Cor.coef. Fo:Fc free: 0.904 / SU B: 7.337 / SU ML: 0.168 / 交差検証法: THROUGHOUT / ESU R: 0.378 / ESU R Free: 0.257 / 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: 33.97 Å2
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精密化ステップ | サイクル: LAST / 解像度: 2.5→30 Å
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拘束条件 |
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