+データを開く
-基本情報
登録情報 | データベース: PDB / ID: 6ges | ||||||
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タイトル | Crystal structure of ERK1 covalently bound to SM1-71 | ||||||
要素 | Mitogen-activated protein kinase 3 | ||||||
キーワード | TRANSFERASE (転移酵素) / kinase (キナーゼ) / covalent inhibitor / MAPK / Structural Genomics (構造ゲノミクス) / Structural Genomics Consortium / SGC | ||||||
機能・相同性 | 機能・相同性情報 positive regulation of xenophagy / xenophagy / RAF-independent MAPK1/3 activation / Suppression of apoptosis / Signaling by Activin / Gastrin-CREB signalling pathway via PKC and MAPK / cardiac neural crest cell development involved in heart development / caveolin-mediated endocytosis / ERKs are inactivated / response to epidermal growth factor ...positive regulation of xenophagy / xenophagy / RAF-independent MAPK1/3 activation / Suppression of apoptosis / Signaling by Activin / Gastrin-CREB signalling pathway via PKC and MAPK / cardiac neural crest cell development involved in heart development / caveolin-mediated endocytosis / ERKs are inactivated / response to epidermal growth factor / Signaling by MAP2K mutants / Signaling by NODAL / RSK activation / Golgi Cisternae Pericentriolar Stack Reorganization / regulation of cellular pH / positive regulation of macrophage proliferation / positive regulation of cyclase activity / outer ear morphogenesis / Regulation of the apoptosome activity / cartilage development / regulation of Golgi inheritance / interleukin-1-mediated signaling pathway / trachea formation / Negative feedback regulation of MAPK pathway / regulation of early endosome to late endosome transport / regulation of stress-activated MAPK cascade / IFNG signaling activates MAPKs / Frs2-mediated activation / positive regulation of macrophage chemotaxis / lung morphogenesis / ERBB2-ERBB3 signaling pathway / response to exogenous dsRNA / regulation of cytoskeleton organization / Activation of the AP-1 family of transcription factors / face development / MAPK3 (ERK1) activation / ERK/MAPK targets / 仮足 / RUNX2 regulates osteoblast differentiation / Bergmann glial cell differentiation / positive regulation of telomere capping / thyroid gland development / Advanced glycosylation endproduct receptor signaling / RHO GTPases Activate NADPH Oxidases / Estrogen-dependent nuclear events downstream of ESR-membrane signaling / Regulation of HSF1-mediated heat shock response / MAP kinase activity / regulation of ossification / RHO GTPases Activate WASPs and WAVEs / 分裂促進因子活性化タンパク質キナーゼ / phosphatase binding / signal transduction in response to DNA damage / Nuclear events stimulated by ALK signaling in cancer / Signal attenuation / BMP signaling pathway / Schwann cell development / stress-activated MAPK cascade / Growth hormone receptor signaling / peptidyl-tyrosine autophosphorylation / lipopolysaccharide-mediated signaling pathway / positive regulation of telomerase activity / sensory perception of pain / negative regulation of TORC1 signaling / cellular response to cadmium ion / positive regulation of telomere maintenance via telomerase / ERK1 and ERK2 cascade / NPAS4 regulates expression of target genes / cellular response to amino acid starvation / 髄鞘 / RNA Polymerase I Promoter Opening / NCAM signaling for neurite out-growth / phosphotyrosine residue binding / ESR-mediated signaling / insulin-like growth factor receptor signaling pathway / thymus development / Regulation of PTEN gene transcription / Signal transduction by L1 / カベオラ / Negative regulation of FGFR3 signaling / Downregulation of SMAD2/3:SMAD4 transcriptional activity / FCERI mediated MAPK activation / Negative regulation of FGFR2 signaling / FCGR3A-mediated phagocytosis / Negative regulation of FGFR4 signaling / Negative regulation of FGFR1 signaling / SMAD2/SMAD3:SMAD4 heterotrimer regulates transcription / Spry regulation of FGF signaling / Signaling by high-kinase activity BRAF mutants / MAP2K and MAPK activation / modulation of chemical synaptic transmission / Oncogene Induced Senescence / Regulation of actin dynamics for phagocytic cup formation / ISG15 antiviral mechanism / cellular response to reactive oxygen species / cellular response to mechanical stimulus / Negative regulation of MAPK pathway / Signaling by RAF1 mutants / Signaling by moderate kinase activity BRAF mutants / Paradoxical activation of RAF signaling by kinase inactive BRAF / Signaling downstream of RAS mutants 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: 2.07 Å | ||||||
データ登録者 | Chaikuad, A. / Suman, R. / Arrowsmith, C.H. / Edwards, A.M. / Bountra, C. / Gray, N.S. / Knapp, S. / Structural Genomics Consortium (SGC) | ||||||
引用 | ジャーナル: Cell Chem Biol / 年: 2019 タイトル: Leveraging Compound Promiscuity to Identify Targetable Cysteines within the Kinome. 著者: Rao, S. / Gurbani, D. / Du, G. / Everley, R.A. / Browne, C.M. / Chaikuad, A. / Tan, L. / Schroder, M. / Gondi, S. / Ficarro, S.B. / Sim, T. / Kim, N.D. / Berberich, M.J. / Knapp, S. / Marto, ...著者: Rao, S. / Gurbani, D. / Du, G. / Everley, R.A. / Browne, C.M. / Chaikuad, A. / Tan, L. / Schroder, M. / Gondi, S. / Ficarro, S.B. / Sim, T. / Kim, N.D. / Berberich, M.J. / Knapp, S. / Marto, J.A. / Westover, K.D. / Sorger, P.K. / Gray, N.S. | ||||||
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 | 6ges.cif.gz | 300.1 KB | 表示 | PDBx/mmCIF形式 |
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PDB形式 | pdb6ges.ent.gz | 242.4 KB | 表示 | PDB形式 |
PDBx/mmJSON形式 | 6ges.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/ge/6ges ftp://data.pdbj.org/pub/pdb/validation_reports/ge/6ges | HTTPS FTP |
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-関連構造データ
-リンク
-集合体
登録構造単位 |
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単位格子 |
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非結晶学的対称性 (NCS) | NCSドメイン:
NCSドメイン領域: Component-ID: 0 / Ens-ID: 1 / Beg auth comp-ID: PRO / Beg label comp-ID: PRO / End auth comp-ID: GLY / End label comp-ID: GLY / Refine code: 0 / Auth seq-ID: 25 - 374 / Label seq-ID: 26 - 375
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-要素
-タンパク質 , 1種, 2分子 AB
#1: タンパク質 | 分子量: 43277.566 Da / 分子数: 2 / 由来タイプ: 組換発現 / 由来: (組換発現) Homo sapiens (ヒト) / 遺伝子: MAPK3, ERK1, PRKM3 / プラスミド: pNIC28-Bsa4 / 発現宿主: Escherichia coli BL21(DE3) (大腸菌) / Variant (発現宿主): R3-pRARE2 参照: UniProt: P27361, 分裂促進因子活性化タンパク質キナーゼ |
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-非ポリマー , 5種, 322分子
#2: 化合物 | #3: 化合物 | ChemComp-EWH / ~{ | #4: 化合物 | #5: 化合物 | ChemComp-EDO / #6: 水 | ChemComp-HOH / | |
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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: 2.18 Å3/Da / 溶媒含有率: 43.69 % |
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結晶化 | 温度: 277.14 K / 手法: 蒸気拡散法, シッティングドロップ法 / pH: 7.5 / 詳細: 34% PEG 4k, 0.2M Li2SO4, 0.1M tris 7.5 |
-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: SLS / ビームライン: X06SA / 波長: 0.99986 Å |
検出器 | タイプ: DECTRIS EIGER X 16M / 検出器: PIXEL / 日付: 2018年4月18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: 0.99986 Å / 相対比: 1 |
反射 | 解像度: 2.07→47.02 Å / Num. obs: 44884 / % possible obs: 98.9 % / 冗長度: 5.4 % / Biso Wilson estimate: 35.9 Å2 / CC1/2: 0.999 / Rmerge(I) obs: 0.061 / Net I/σ(I): 13.5 |
反射 シェル | 解像度: 2.07→2.13 Å / 冗長度: 5.4 % / Rmerge(I) obs: 0.786 / Mean I/σ(I) obs: 2 / Num. unique obs: 3496 / CC1/2: 0.799 / % possible all: 99.3 |
-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: 4qtb 解像度: 2.07→47.02 Å / Cor.coef. Fo:Fc: 0.971 / Cor.coef. Fo:Fc free: 0.951 / SU B: 10.836 / SU ML: 0.142 / 交差検証法: THROUGHOUT / ESU R: 0.209 / ESU R Free: 0.171 / 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: 1.2 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
原子変位パラメータ | Biso mean: 45.749 Å2
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精密化ステップ | サイクル: 1 / 解像度: 2.07→47.02 Å
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拘束条件 |
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