+データを開く
-基本情報
登録情報 | データベース: PDB / ID: 1o49 | ||||||
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タイトル | CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU85493. | ||||||
要素 | PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC | ||||||
キーワード | SIGNALING PROTEIN / SH2 DOMAIN FRAGMENT APPROACH | ||||||
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 / response to mineralocorticoid / positive regulation of dephosphorylation / Regulation of commissural axon pathfinding by SLIT and ROBO / ERBB2 signaling pathway / regulation of epithelial cell migration / entry of bacterium into host cell / positive regulation of protein transport / Regulation of gap junction activity / BMP receptor binding / positive regulation of lamellipodium morphogenesis / cellular response to progesterone stimulus / regulation of vascular permeability / Activated NTRK2 signals through FYN / positive regulation of integrin activation / negative regulation of focal adhesion assembly / positive regulation of protein processing / skeletal muscle cell proliferation / : / 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 / response to acidic pH / focal adhesion assembly / signal complex assembly / positive regulation of small GTPase mediated signal transduction / positive regulation of Ras protein signal transduction / podosome / regulation of bone resorption / positive regulation of podosome assembly / Regulation of RUNX1 Expression and Activity / branching involved in mammary gland duct morphogenesis / adherens junction organization / DCC mediated attractive signaling / myoblast proliferation / EPH-Ephrin signaling / odontogenesis / negative regulation of mitochondrial depolarization / Ephrin signaling / cellular response to peptide hormone stimulus / osteoclast development / Signal regulatory protein family interactions / cellular response to fatty acid / MET activates PTK2 signaling / regulation of early endosome to late endosome transport / Regulation of KIT signaling / Signaling by ALK / postsynaptic specialization, intracellular component / Receptor Mediated Mitophagy / CTLA4 inhibitory signaling / GP1b-IX-V activation signalling / oogenesis / interleukin-6-mediated signaling pathway / leukocyte migration / phospholipase activator activity / DNA biosynthetic process / Fc-gamma receptor signaling pathway involved in phagocytosis / EPHA-mediated growth cone collapse / p130Cas linkage to MAPK signaling for integrins / positive regulation of Notch signaling pathway / negative regulation of hippo signaling / Signaling by EGFR / cellular response to platelet-derived growth factor stimulus / stress fiber assembly / positive regulation of epithelial cell migration / positive regulation of smooth muscle cell migration / progesterone receptor signaling pathway / regulation of heart rate by cardiac conduction / RUNX2 regulates osteoblast differentiation / dendritic growth cone / Recycling pathway of L1 / stimulatory C-type lectin receptor signaling pathway / PECAM1 interactions / uterus development / phospholipase binding / GRB2:SOS provides linkage to MAPK signaling for Integrins / Long-term potentiation / neurotrophin TRK receptor signaling pathway / RHOU GTPase cycle / platelet-derived growth factor receptor signaling pathway / negative regulation of telomere maintenance via telomerase / 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 / 分子置換 / 解像度: 1.7 Å | ||||||
データ登録者 | Lange, G. / Loenze, P. / Liesum, A. | ||||||
引用 | ジャーナル: J.Med.Chem. / 年: 2003 タイトル: Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors. 著者: Lange, G. / Lesuisse, D. / Deprez, P. / Schoot, B. / Loenze, P. / Benard, D. / Marquette, J.P. / Broto, P. / Sarubbi, E. / Mandine, E. | ||||||
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 | 1o49.cif.gz | 38.2 KB | 表示 | PDBx/mmCIF形式 |
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PDB形式 | pdb1o49.ent.gz | 25.3 KB | 表示 | PDB形式 |
PDBx/mmJSON形式 | 1o49.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 | 1o49_validation.pdf.gz | 467.9 KB | 表示 | wwPDB検証レポート |
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文書・詳細版 | 1o49_full_validation.pdf.gz | 474.2 KB | 表示 | |
XML形式データ | 1o49_validation.xml.gz | 5.6 KB | 表示 | |
CIF形式データ | 1o49_validation.cif.gz | 7.9 KB | 表示 | |
アーカイブディレクトリ | https://data.pdbj.org/pub/pdb/validation_reports/o4/1o49 ftp://data.pdbj.org/pub/pdb/validation_reports/o4/1o49 | HTTPS FTP |
-関連構造データ
関連構造データ | 1o41C 1o42C 1o43C 1o44C 1o45C 1o46C 1o47C 1o48C 1o4aC 1o4bC 1o4cC 1o4dC 1o4eC 1o4fC 1o4gC 1o4hC 1o4iC 1o4jC 1o4kC 1o4lC 1o4mC 1o4nC 1o4oC 1o4pC 1o4qC 1o4rC 1shdS S: 精密化の開始モデル C: 同じ文献を引用 (文献) |
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類似構造データ |
-リンク
-集合体
登録構造単位 |
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単位格子 |
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-要素
#1: タンパク質 | 分子量: 12374.964 Da / 分子数: 1 / 断片: SH2 DOMAIN / 由来タイプ: 組換発現 / 由来: (組換発現) Homo sapiens (ヒト) / 遺伝子: SRC / プラスミド: BL21 (DE3) / 発現宿主: Escherichia coli (大腸菌) / 参照: UniProt: P12931, EC: 2.7.1.112 |
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#2: 化合物 | ChemComp-493 / { |
#3: 水 | ChemComp-HOH / |
-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: 2.2 Å3/Da / 溶媒含有率: 41.9 % | ||||||||||||||||||||||||||||||||||||||||||
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結晶化 | pH: 5.5 / 詳細: pH 5.50 | ||||||||||||||||||||||||||||||||||||||||||
結晶化 | *PLUS pH: 5.5 / 手法: 蒸気拡散法, シッティングドロップ法 / 詳細: Lesuisse, D., (2002) J.Med.Chem., 45, 2379. | ||||||||||||||||||||||||||||||||||||||||||
溶液の組成 | *PLUS
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-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: 回転陽極 / タイプ: ELLIOTT GX-21 / 波長: 1.5418 |
検出器 | タイプ: MAR scanner 345 mm plate / 検出器: IMAGE PLATE / 日付: 1999年9月1日 |
放射 | モノクロメーター: GRAPHITE / 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: 1.5418 Å / 相対比: 1 |
反射 | 解像度: 1.7→40 Å / Num. obs: 10671 / % possible obs: 91.9 % / Observed criterion σ(I): -3 / Rmerge(I) obs: 0.056 / Net I/σ(I): 16 |
反射 シェル | 解像度: 1.7→1.8 Å / Rmerge(I) obs: 0.272 / Mean I/σ(I) obs: 4.3 / % possible all: 95.4 |
-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: 1SHD 解像度: 1.7→8 Å / Data cutoff high absF: 1000000 / Data cutoff low absF: 0.1 /
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原子変位パラメータ | Biso mean: 21.8 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
精密化ステップ | サイクル: LAST / 解像度: 1.7→8 Å
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拘束条件 |
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