+データを開く
-基本情報
登録情報 | データベース: PDB / ID: 7f7w | ||||||
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タイトル | JAK2-JH2 | ||||||
要素 | Tyrosine-protein kinase JAK2 | ||||||
キーワード | TRANSFERASE / Jak2 / Jh2 / Inhibitor | ||||||
機能・相同性 | 機能・相同性情報 interleukin-35-mediated signaling pathway / nuclear receptor-mediated mineralocorticoid signaling pathway / histone H3Y41 kinase activity / activation of cysteine-type endopeptidase activity involved in apoptotic signaling pathway / positive regulation of growth factor dependent skeletal muscle satellite cell proliferation / symbiont-induced defense-related programmed cell death / mammary gland epithelium development / regulation of postsynapse to nucleus signaling pathway / positive regulation of growth hormone receptor signaling pathway / erythropoietin-mediated signaling pathway ...interleukin-35-mediated signaling pathway / nuclear receptor-mediated mineralocorticoid signaling pathway / histone H3Y41 kinase activity / activation of cysteine-type endopeptidase activity involved in apoptotic signaling pathway / positive regulation of growth factor dependent skeletal muscle satellite cell proliferation / symbiont-induced defense-related programmed cell death / mammary gland epithelium development / regulation of postsynapse to nucleus signaling pathway / positive regulation of growth hormone receptor signaling pathway / erythropoietin-mediated signaling pathway / interleukin-23-mediated signaling pathway / granulocyte macrophage colony-stimulating factor receptor complex / granulocyte-macrophage colony-stimulating factor signaling pathway / Signaling by Erythropoietin / collagen-activated signaling pathway / interleukin-12 receptor binding / Erythropoietin activates STAT5 / interleukin-5-mediated signaling pathway / response to interleukin-12 / Erythropoietin activates Phospholipase C gamma (PLCG) / positive regulation of leukocyte proliferation / post-embryonic hemopoiesis / interleukin-12 receptor complex / activation of Janus kinase activity / tyrosine phosphorylation of STAT protein / interleukin-23 receptor complex / positive regulation of platelet aggregation / positive regulation of MHC class II biosynthetic process / Interleukin-23 signaling / positive regulation of T-helper 17 type immune response / positive regulation of platelet activation / acetylcholine receptor binding / interleukin-12-mediated signaling pathway / type 1 angiotensin receptor binding / positive regulation of NK T cell proliferation / interleukin-3-mediated signaling pathway / cellular response to interleukin-3 / regulation of nitric oxide biosynthetic process / Signaling by Leptin / Interleukin-12 signaling / Interleukin-27 signaling / IL-6-type cytokine receptor ligand interactions / Interleukin-35 Signalling / positive regulation of signaling receptor activity / positive regulation of epithelial cell apoptotic process / positive regulation of natural killer cell proliferation / positive regulation of cell-substrate adhesion / regulation of receptor signaling pathway via JAK-STAT / growth hormone receptor binding / response to hydroperoxide / axon regeneration / growth hormone receptor signaling pathway / negative regulation of cardiac muscle cell apoptotic process / intrinsic apoptotic signaling pathway in response to oxidative stress / peptide hormone receptor binding / extrinsic component of plasma membrane / IFNG signaling activates MAPKs / Interleukin-20 family signaling / negative regulation of cell-cell adhesion / Interleukin-6 signaling / Erythropoietin activates Phosphoinositide-3-kinase (PI3K) / interleukin-6-mediated signaling pathway / enzyme-linked receptor protein signaling pathway / Prolactin receptor signaling / MAPK3 (ERK1) activation / negative regulation of DNA binding / positive regulation of interleukin-17 production / positive regulation of nitric-oxide synthase biosynthetic process / response to amine / extrinsic component of cytoplasmic side of plasma membrane / MAPK1 (ERK2) activation / mesoderm development / positive regulation of SMAD protein signal transduction / cell surface receptor signaling pathway via JAK-STAT / platelet-derived growth factor receptor signaling pathway / insulin receptor substrate binding / Interleukin-3, Interleukin-5 and GM-CSF signaling / response to tumor necrosis factor / growth hormone receptor signaling pathway via JAK-STAT / Interleukin receptor SHC signaling / phosphatidylinositol 3-kinase binding / type II interferon-mediated signaling pathway / Regulation of IFNG signaling / positive regulation of T cell proliferation / positive regulation of tyrosine phosphorylation of STAT protein / Erythropoietin activates RAS / Growth hormone receptor signaling / extrinsic apoptotic signaling pathway / Signaling by CSF3 (G-CSF) / tumor necrosis factor-mediated signaling pathway / positive regulation of vascular associated smooth muscle cell proliferation / actin filament polymerization / SH2 domain binding / cellular response to dexamethasone stimulus / post-translational protein modification / erythrocyte differentiation / Signaling by phosphorylated juxtamembrane, extracellular and kinase domain KIT mutants / positive regulation of interleukin-1 beta production / endosome lumen / positive regulation of cell differentiation 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: 1.83 Å | ||||||
データ登録者 | Niu, L. | ||||||
引用 | ジャーナル: Blood Cancer J / 年: 2022 タイトル: Preclinical studies of Flonoltinib Maleate, a novel JAK2/FLT3 inhibitor, in treatment of JAK2 V617F -induced myeloproliferative neoplasms. 著者: Hu, M. / Yang, T. / Yang, L. / Niu, L. / Zhu, J. / Zhao, A. / Shi, M. / Yuan, X. / Tang, M. / Yang, J. / Pei, H. / Yang, Z. / Chen, Q. / Ye, H. / Niu, T. / Chen, 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 | 7f7w.cif.gz | 225.1 KB | 表示 | PDBx/mmCIF形式 |
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PDB形式 | pdb7f7w.ent.gz | 182.8 KB | 表示 | PDB形式 |
PDBx/mmJSON形式 | 7f7w.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
文書・要旨 | 7f7w_validation.pdf.gz | 955.8 KB | 表示 | wwPDB検証レポート |
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文書・詳細版 | 7f7w_full_validation.pdf.gz | 963.7 KB | 表示 | |
XML形式データ | 7f7w_validation.xml.gz | 25.5 KB | 表示 | |
CIF形式データ | 7f7w_validation.cif.gz | 34.7 KB | 表示 | |
アーカイブディレクトリ | https://data.pdbj.org/pub/pdb/validation_reports/f7/7f7w ftp://data.pdbj.org/pub/pdb/validation_reports/f7/7f7w | HTTPS FTP |
-関連構造データ
関連構造データ | 5ut5S S: 精密化の開始モデル |
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類似構造データ | 類似検索 - 機能・相同性F&H 検索 |
-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: 31632.340 Da / 分子数: 2 / 断片: pseudokinase domain / 由来タイプ: 組換発現 / 由来: (組換発現) Homo sapiens (ヒト) / 遺伝子: JAK2 発現宿主: Spodoptera frugiperda (ツマジロクサヨトウ) 参照: UniProt: O60674, non-specific protein-tyrosine kinase #2: 化合物 | #3: 水 | ChemComp-HOH / | 研究の焦点であるリガンドがあるか | Y | Has protein modification | Y | |
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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: 2.27 Å3/Da / 溶媒含有率: 45.72 % |
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結晶化 | 温度: 289 K / 手法: 蒸気拡散法, ハンギングドロップ法 詳細: 0.1M Tris, pH 8.0 0.2M Sodium acetate, 12-20% PEG 4000 |
-データ収集
回折 | 平均測定温度: 100 K / Serial crystal experiment: N |
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放射光源 | 由来: シンクロトロン / サイト: SSRF / ビームライン: BL19U1 / 波長: 0.988 Å |
検出器 | タイプ: DECTRIS PILATUS 6M / 検出器: PIXEL / 日付: 2019年4月14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: 0.988 Å / 相対比: 1 |
反射 | 解像度: 1.83→58 Å / Num. obs: 48992 / % possible obs: 94.4 % / 冗長度: 6.4 % / CC1/2: 0.999 / Net I/σ(I): 14.5 |
反射 シェル | 解像度: 1.95→1.98 Å / Num. unique obs: 4195 / CC1/2: 0.968 |
-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: 5UT5 解像度: 1.83→57.546 Å / SU ML: 0.23 / 交差検証法: THROUGHOUT / σ(F): 1.36 / 位相誤差: 33.63 / 立体化学のターゲット値: ML
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溶媒の処理 | 減衰半径: 0.9 Å / VDWプローブ半径: 1.11 Å / 溶媒モデル: FLAT BULK SOLVENT MODEL | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
原子変位パラメータ | Biso max: 139 Å2 / Biso mean: 42.41 Å2 / Biso min: 16.97 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
精密化ステップ | サイクル: final / 解像度: 1.83→57.546 Å
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拘束条件 |
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LS精密化 シェル | Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0
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