- PDB-6di3: CRYSTAL STRUCTURE OF BTK IN COMPLEX WITH FRAGMENT LIGAND -
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基本情報
登録情報
データベース: PDB / ID: 6di3
タイトル
CRYSTAL STRUCTURE OF BTK IN COMPLEX WITH FRAGMENT LIGAND
要素
Tyrosine-protein kinase BTK
キーワード
TRANSFERASE/TRANSFERASE Inhibitor / LEAD OPTIMIZATION / FRAGMENT SCREENING BY X-RAY / TRANSFERASE / TRANSFERASE-TRANSFERASE Inhibitor complex
機能・相同性
機能・相同性情報
regulation of B cell cytokine production / proteoglycan catabolic process / monocyte proliferation / positive regulation of interleukin-17A production / regulation of B cell apoptotic process / eosinophil homeostasis / positive regulation of type III hypersensitivity / B cell affinity maturation / positive regulation of synoviocyte proliferation / histamine secretion by mast cell ...regulation of B cell cytokine production / proteoglycan catabolic process / monocyte proliferation / positive regulation of interleukin-17A production / regulation of B cell apoptotic process / eosinophil homeostasis / positive regulation of type III hypersensitivity / B cell affinity maturation / positive regulation of synoviocyte proliferation / histamine secretion by mast cell / neutrophil homeostasis / cellular response to molecule of fungal origin / positive regulation of type I hypersensitivity / cellular response to interleukin-7 / MyD88 deficiency (TLR2/4) / MyD88-dependent toll-like receptor signaling pathway / IRAK4 deficiency (TLR2/4) / positive regulation of immunoglobulin production / MyD88:MAL(TIRAP) cascade initiated on plasma membrane / positive regulation of B cell differentiation / positive regulation of NLRP3 inflammasome complex assembly / phospholipase activator activity / negative regulation of interleukin-10 production / B cell activation / negative regulation of B cell proliferation / Fc-epsilon receptor signaling pathway / mesoderm development / phosphatidylinositol-3,4,5-trisphosphate binding / phospholipase binding / RHO GTPases Activate WASPs and WAVEs / positive regulation of B cell proliferation / positive regulation of phagocytosis / cell maturation / FCERI mediated Ca+2 mobilization / Antigen activates B Cell Receptor (BCR) leading to generation of second messengers / calcium-mediated signaling / apoptotic signaling pathway / FCGR3A-mediated phagocytosis / B cell receptor signaling pathway / non-specific protein-tyrosine kinase / non-membrane spanning protein tyrosine kinase activity / Regulation of actin dynamics for phagocytic cup formation / G beta:gamma signalling through BTK / cellular response to reactive oxygen species / peptidyl-tyrosine phosphorylation / positive regulation of interleukin-6 production / positive regulation of tumor necrosis factor production / G alpha (12/13) signalling events / DAP12 signaling / positive regulation of NF-kappaB transcription factor activity / T cell receptor signaling pathway / ER-Phagosome pathway / cytoplasmic vesicle / G alpha (q) signalling events / protein tyrosine kinase activity / adaptive immune response / Potential therapeutics for SARS / response to lipopolysaccharide / intracellular signal transduction / membrane raft / protein phosphorylation / innate immune response / perinuclear region of cytoplasm / ATP binding / identical protein binding / nucleus / metal ion binding / plasma membrane / cytoplasm / cytosol 類似検索 - 分子機能
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: 2→38.08 Å / Num. obs: 19883 / % possible obs: 99 % / 冗長度: 6.36 % / Biso Wilson estimate: 39.97 Å2 / CC1/2: 0.999 / Rrim(I) all: 0.067 / Net I/σ(I): 18.04
反射 シェル
解像度: 2→2.052 Å / Mean I/σ(I) obs: 3.11 / CC1/2: 0.895 / Rrim(I) all: 0.607 / % possible all: 94.1
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解析
ソフトウェア
名称
バージョン
分類
HKL-2000
データスケーリング
REFMAC
5.5.0066
精密化
PDB_EXTRACT
3.24
データ抽出
精密化
解像度: 2→38.08 Å / Cor.coef. Fo:Fc: 0.955 / Cor.coef. Fo:Fc free: 0.925 / SU B: 8.641 / SU ML: 0.11 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.177 / ESU R Free: 0.162 / 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS