- PDB-4awi: Human Jnk1alpha kinase with 4-phenyl-7-azaindole IKK2 inhibitor. -
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データを開く
IDまたはキーワード:
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基本情報
登録情報
データベース: PDB / ID: 4awi
タイトル
Human Jnk1alpha kinase with 4-phenyl-7-azaindole IKK2 inhibitor.
要素
MITOGEN-ACTIVATED PROTEIN KINASE 8
キーワード
TRANSFERASE
機能・相同性
機能・相同性情報
positive regulation of cell killing / JUN phosphorylation / Interleukin-38 signaling / Activation of BMF and translocation to mitochondria / basal dendrite / Activation of BIM and translocation to mitochondria / JUN kinase activity / WNT5:FZD7-mediated leishmania damping / positive regulation of cyclase activity / histone deacetylase regulator activity ...positive regulation of cell killing / JUN phosphorylation / Interleukin-38 signaling / Activation of BMF and translocation to mitochondria / basal dendrite / Activation of BIM and translocation to mitochondria / JUN kinase activity / WNT5:FZD7-mediated leishmania damping / positive regulation of cyclase activity / histone deacetylase regulator activity / positive regulation of NLRP3 inflammasome complex assembly / DSCAM interactions / NRAGE signals death through JNK / Activation of the AP-1 family of transcription factors / Fc-epsilon receptor signaling pathway / mitogen-activated protein kinase / regulation of macroautophagy / response to mechanical stimulus / response to UV / protein serine/threonine kinase binding / stress-activated MAPK cascade / JNK cascade / cellular response to cadmium ion / positive regulation of protein metabolic process / cellular response to amino acid starvation / NRIF signals cell death from the nucleus / JNK (c-Jun kinases) phosphorylation and activation mediated by activated human TAK1 / negative regulation of protein binding / FCERI mediated MAPK activation / peptidyl-threonine phosphorylation / regulation of circadian rhythm / histone deacetylase binding / cellular response to reactive oxygen species / cellular response to mechanical stimulus / regulation of protein localization / cellular senescence / Signaling by ALK fusions and activated point mutants / rhythmic process / Recruitment and ATM-mediated phosphorylation of repair and signaling proteins at DNA double strand breaks / cellular response to oxidative stress / cellular response to lipopolysaccharide / peptidyl-serine phosphorylation / protein phosphatase binding / Oxidative Stress Induced Senescence / response to oxidative stress / positive regulation of apoptotic process / axon / protein phosphorylation / protein serine kinase activity / protein serine/threonine kinase activity / synapse / positive regulation of gene expression / negative regulation of apoptotic process / enzyme binding / nucleoplasm / ATP binding / nucleus / cytoplasm / cytosol 類似検索 - 分子機能
Mitogen-activated protein (MAP) kinase, JNK / Mitogen-activated protein (MAP) kinase, conserved site / MAP kinase signature. / Transferase(Phosphotransferase) domain 1 / Transferase(Phosphotransferase); domain 1 / Phosphorylase Kinase; domain 1 / Phosphorylase Kinase; domain 1 / Serine/threonine-protein kinase, active site / Serine/Threonine protein kinases active-site signature. / Protein kinase domain ...Mitogen-activated protein (MAP) kinase, JNK / Mitogen-activated protein (MAP) kinase, conserved site / MAP kinase signature. / Transferase(Phosphotransferase) domain 1 / Transferase(Phosphotransferase); domain 1 / Phosphorylase Kinase; domain 1 / Phosphorylase Kinase; domain 1 / Serine/threonine-protein kinase, active site / Serine/Threonine protein kinases active-site signature. / Protein kinase domain / Serine/Threonine protein kinases, catalytic domain / Protein kinase domain profile. / Protein kinase domain / Protein kinase-like domain superfamily / 2-Layer Sandwich / Orthogonal Bundle / Mainly Alpha / Alpha Beta 類似検索 - ドメイン・相同性
Chem-AQ2 / Mitogen-activated protein kinase 8 類似検索 - 構成要素
pH: 6.5 詳細: 0.05 M AMMONIUM SULFATE, 0.05 M BIS-TRIS PH 6.5, 30% V/V PENTAERYTHRITOL (15/4 EO/OH)
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データ収集
回折
平均測定温度: 100 K
放射光源
由来: シンクロトロン / サイト: ESRF / タイプ: ESRF / 波長: 0.931
検出器
タイプ: ADSC CCD / 検出器: CCD / 日付: 2006年7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: 0.931 Å / 相対比: 1
反射
解像度: 1.91→29.3 Å / Num. obs: 27663 / % possible obs: 89.3 % / Observed criterion σ(I): 2 / 冗長度: 2.8 % / Rmerge(I) obs: 0.06 / Net I/σ(I): 10.2
反射 シェル
解像度: 1.91→2 Å / 冗長度: 2.6 % / Rmerge(I) obs: 0.39 / Mean I/σ(I) obs: 2.3 / % possible all: 86.4
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解析
ソフトウェア
名称
バージョン
分類
REFMAC
5.6.0117
精密化
MOSFLM
データ削減
SCALA
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: 1.91→28.5 Å / Cor.coef. Fo:Fc: 0.954 / Cor.coef. Fo:Fc free: 0.935 / SU B: 6.817 / SU ML: 0.105 / 交差検証法: THROUGHOUT / ESU R: 0.186 / ESU R Free: 0.157 / 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
0.21941
1391
5 %
RANDOM
Rwork
0.18601
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obs
0.18769
26266
86.49 %
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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: 1.2 Å / 溶媒モデル: BABINET MODEL WITH MASK