IRF3 mediated activation of type 1 IFN / STAT6-mediated induction of chemokines / positive regulation of xenophagy / serine/threonine protein kinase complex / regulation of type I interferon production / dendritic cell proliferation / cGAS/STING signaling pathway / IRF3-mediated induction of type I IFN / Interleukin-37 signaling / positive regulation of type I interferon-mediated signaling pathway ...IRF3 mediated activation of type 1 IFN / STAT6-mediated induction of chemokines / positive regulation of xenophagy / serine/threonine protein kinase complex / regulation of type I interferon production / dendritic cell proliferation / cGAS/STING signaling pathway / IRF3-mediated induction of type I IFN / Interleukin-37 signaling / positive regulation of type I interferon-mediated signaling pathway / cytoplasmic pattern recognition receptor signaling pathway / TNFR1-induced proapoptotic signaling / toll-like receptor 4 signaling pathway / TRAF6 mediated IRF7 activation / type I interferon-mediated signaling pathway / positive regulation of interferon-alpha production / positive regulation of type I interferon production / positive regulation of macroautophagy / canonical NF-kappaB signal transduction / positive regulation of autophagy / activation of innate immune response / antiviral innate immune response / negative regulation of TORC1 signaling / Regulation of TBK1, IKKε (IKBKE)-mediated activation of IRF3, IRF7 / Regulation of TBK1, IKKε-mediated activation of IRF3, IRF7 upon TLR3 ligation / TICAM1-dependent activation of IRF3/IRF7 / positive regulation of interferon-beta production / positive regulation of TORC1 signaling / Regulation of innate immune responses to cytosolic DNA / Activation of IRF3, IRF7 mediated by TBK1, IKKε (IKBKE) / PINK1-PRKN Mediated Mitophagy / Negative regulators of DDX58/IFIH1 signaling / peptidyl-threonine phosphorylation / phosphoprotein binding / Regulation of TNFR1 signaling / response to virus / DDX58/IFIH1-mediated induction of interferon-alpha/beta / SARS-CoV-1 activates/modulates innate immune responses / positive regulation of peptidyl-serine phosphorylation / TRAF3-dependent IRF activation pathway / peptidyl-serine phosphorylation / protein phosphatase binding / defense response to virus / positive regulation of canonical NF-kappaB signal transduction / Potential therapeutics for SARS / nucleic acid binding / non-specific serine/threonine protein kinase / protein kinase activity / defense response to Gram-positive bacterium / inflammatory response / protein phosphorylation / intracellular membrane-bounded organelle / innate immune response / negative regulation of gene expression / protein serine kinase activity / protein serine/threonine kinase activity / SARS-CoV-2 activates/modulates innate and adaptive immune responses / positive regulation of transcription by RNA polymerase II / nucleoplasm / ATP binding / identical protein binding / cytosol / cytoplasm 類似検索 - 分子機能
THE 5-IODO SUBSTITUTION OF THE PYRIMIDINE IN BX-795 IS SENSITIVE TO RADIATION CLEAVAGE. THE IONIZED ...THE 5-IODO SUBSTITUTION OF THE PYRIMIDINE IN BX-795 IS SENSITIVE TO RADIATION CLEAVAGE. THE IONIZED IODINE RADICALS DIFFUSE AWAY FROM ITS ORIGINAL POSITION. BOTH THE POSITIONS OF THE IODINE HAS BEEN CAPTURED AND REPRESENTED AS ALTERNATE CONFORMERS
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実験情報
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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: 3.02 Å3/Da / 溶媒含有率: 59.34 %
結晶化
温度: 293 K / 手法: 蒸気拡散法, ハンギングドロップ法 / pH: 5.5 詳細: 0.1 M BIS-TRIS pH 5.5 (5.5-7.5), 2.0 M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 293K
モノクロメーター: 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: 1 Å / 相対比: 1
反射
解像度: 1.8→50 Å / % possible obs: 99.9 % / 冗長度: 3.5 % / Biso Wilson estimate: 30 Å2 / Rsym value: 0.05 / Net I/σ(I): 15.8
反射 シェル
解像度: 1.8→1.86 Å / 冗長度: 3.4 % / Mean I/σ(I) obs: 2.6 / Num. unique all: 7872 / Rsym value: 0.458 / % possible all: 99.8
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解析
ソフトウェア
名称
バージョン
分類
Blu-Ice
データ収集
PHASES
位相決定
REFMAC
5.5.0109
精密化
HKL-2000
データ削減
HKL-2000
データスケーリング
精密化
構造決定の手法: 分子置換 / 解像度: 1.8→50 Å / Cor.coef. Fo:Fc: 0.973 / Cor.coef. Fo:Fc free: 0.963 / SU B: 5.189 / SU ML: 0.08 / 交差検証法: THROUGHOUT / ESU R: 0.101 / ESU R Free: 0.097 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD / 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
反射数
%反射
Selection details
Rfree
0.19444
3948
5 %
RANDOM
Rwork
0.16855
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obs
0.16988
74552
99.84 %
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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