+データを開く
-基本情報
登録情報 | データベース: PDB / ID: 4mxz | ||||||
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タイトル | Src M314L T338M double mutant bound to kinase inhibitor bosutinib | ||||||
要素 | Proto-oncogene tyrosine-protein kinase Src | ||||||
キーワード | TRANSFERASE/TRANSFERASE INHIBITOR / Kinase (キナーゼ) / Phosphorylation (リン酸化) / TRANSFERASE-TRANSFERASE INHIBITOR complex | ||||||
機能・相同性 | 機能・相同性情報 regulation of toll-like receptor 3 signaling pathway / positive regulation of non-membrane spanning protein tyrosine kinase activity / primary ovarian follicle growth / regulation of caveolin-mediated endocytosis / positive regulation of ovarian follicle development / cellular response to prolactin / positive regulation of platelet-derived growth factor receptor-beta signaling pathway / positive regulation of male germ cell proliferation / dendritic filopodium / regulation of cell projection assembly ...regulation of toll-like receptor 3 signaling pathway / positive regulation of non-membrane spanning protein tyrosine kinase activity / primary ovarian follicle growth / regulation of caveolin-mediated endocytosis / positive regulation of ovarian follicle development / cellular response to prolactin / positive regulation of platelet-derived growth factor receptor-beta signaling pathway / positive regulation of male germ cell proliferation / dendritic filopodium / regulation of cell projection assembly / regulation of cell-cell adhesion / positive regulation of dephosphorylation / response to mineralocorticoid / Regulation of commissural axon pathfinding by SLIT and ROBO / ERBB2 signaling pathway / regulation of epithelial cell migration / positive regulation of protein transport / Regulation of gap junction activity / entry of bacterium into host cell / regulation of vascular permeability / BMP receptor binding / positive regulation of lamellipodium morphogenesis / cellular response to progesterone stimulus / positive regulation of integrin activation / Activated NTRK2 signals through FYN / negative regulation of focal adhesion assembly / skeletal muscle cell proliferation / positive regulation of protein processing / negative regulation of telomerase activity / intestinal epithelial cell development / Netrin mediated repulsion signals / regulation of intracellular estrogen receptor signaling pathway / CD28 co-stimulation / positive regulation of glucose metabolic process / transcytosis / Activated NTRK3 signals through PI3K / connexin binding / cellular response to fluid shear stress / focal adhesion assembly / response to acidic pH / signal complex assembly / podosome / positive regulation of small GTPase mediated signal transduction / positive regulation of Ras protein signal transduction / Regulation of RUNX1 Expression and Activity / positive regulation of podosome assembly / regulation of bone resorption / branching involved in mammary gland duct morphogenesis / DCC mediated attractive signaling / adherens junction organization / osteoclast development / myoblast proliferation / EPH-Ephrin signaling / Ephrin signaling / negative regulation of mitochondrial depolarization / 歯の発生 / cellular response to peptide hormone stimulus / Signal regulatory protein family interactions / cellular response to fatty acid / MET activates PTK2 signaling / regulation of early endosome to late endosome transport / oogenesis / Regulation of KIT signaling / Receptor Mediated Mitophagy / Signaling by ALK / postsynaptic specialization, intracellular component / GP1b-IX-V activation signalling / CTLA4 inhibitory signaling / Signaling by EGFR / leukocyte migration / phospholipase activator activity / DNA biosynthetic process / EPHA-mediated growth cone collapse / Fc-gamma receptor signaling pathway involved in phagocytosis / interleukin-6-mediated signaling pathway / negative regulation of hippo signaling / p130Cas linkage to MAPK signaling for integrins / positive regulation of epithelial cell migration / positive regulation of Notch signaling pathway / cellular response to platelet-derived growth factor stimulus / stress fiber assembly / positive regulation of smooth muscle cell migration / Recycling pathway of L1 / RUNX2 regulates osteoblast differentiation / regulation of heart rate by cardiac conduction / progesterone receptor signaling pathway / dendritic growth cone / stimulatory C-type lectin receptor signaling pathway / uterus development / PECAM1 interactions / phospholipase binding / neurotrophin TRK receptor signaling pathway / 長期増強 / GRB2:SOS provides linkage to MAPK signaling for Integrins / negative regulation of telomere maintenance via telomerase / RHOU GTPase cycle / platelet-derived growth factor receptor signaling pathway / negative regulation of anoikis / RET signaling / FCGR activation 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: 2.582 Å | ||||||
データ登録者 | Levinson, N.M. / Boxer, S.G. | ||||||
引用 | ジャーナル: Nat.Chem.Biol. / 年: 2014 タイトル: A conserved water-mediated hydrogen bond network defines bosutinib's kinase selectivity. 著者: Levinson, N.M. / Boxer, S.G. | ||||||
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 | 4mxz.cif.gz | 121 KB | 表示 | PDBx/mmCIF形式 |
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PDB形式 | pdb4mxz.ent.gz | 94.2 KB | 表示 | PDB形式 |
PDBx/mmJSON形式 | 4mxz.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/mx/4mxz ftp://data.pdbj.org/pub/pdb/validation_reports/mx/4mxz | 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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2 |
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単位格子 |
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-要素
#1: タンパク質 | 分子量: 32722.637 Da / 分子数: 2 / 断片: Kinase domain, UNP residues 254-536 / 変異: M314L, T338M / 由来タイプ: 組換発現 / 由来: (組換発現) Homo sapiens (ヒト) / 遺伝子: SRC, SRC1 / 発現宿主: Escherichia coli (大腸菌) 参照: UniProt: P12931, non-specific protein-tyrosine kinase #2: 化合物 | #3: 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: 2 |
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-試料調製
結晶 | マシュー密度: 2.93 Å3/Da / 溶媒含有率: 57.97 % |
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結晶化 | 温度: 298 K / 手法: 蒸気拡散法, ハンギングドロップ法 / pH: 7.5 詳細: 0-4% PEG 3350, 0.2M ammonium acetate, 0.1M Hepes pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
-データ収集
回折 | 平均測定温度: 77 K |
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放射光源 | 由来: シンクロトロン / サイト: SSRL / ビームライン: BL11-1 / 波長: 1.007 Å |
検出器 | タイプ: DECTRIS PILATUS 6M / 検出器: PIXEL / 日付: 2013年3月3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: 1.007 Å / 相対比: 1 |
反射 | 解像度: 2.582→72.7 Å / Num. all: 22899 / Num. obs: 21938 / % possible obs: 95.8 % / Observed criterion σ(F): 2 / Observed criterion σ(I): 2 / 冗長度: 3.2 % / Rmerge(I) obs: 0.195 / Net I/σ(I): 4.4 |
反射 シェル | 解像度: 2.582→2.74 Å / 冗長度: 3.1 % / Rmerge(I) obs: 0.475 / Mean I/σ(I) obs: 2.1 / Num. unique all: 3164 / % possible all: 94.2 |
-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 / 解像度: 2.582→61.894 Å / SU ML: 0.35 / σ(F): 1.97 / 位相誤差: 26.18 / 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 / Bsol: 30.988 Å2 / ksol: 0.394 e/Å3 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
原子変位パラメータ |
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精密化ステップ | サイクル: LAST / 解像度: 2.582→61.894 Å
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拘束条件 |
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LS精密化 シェル |
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