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データを開く
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基本情報
| 登録情報 | データベース: PDB / ID: 5ijb | ||||||||||||
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| タイトル | The ligand-free structure of the mouse TLR4/MD-2 complex | ||||||||||||
 要素 | 
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 キーワード | IMMUNE SYSTEM / leucine-rich repeats | ||||||||||||
| 機能・相同性 |  機能・相同性情報MyD88-independent TLR4 cascade  / Caspase activation via Death Receptors in the presence of ligand / Toll Like Receptor 4 (TLR4) Cascade / Heme signaling / nitric oxide production involved in inflammatory response / Regulation of TLR by endogenous ligand / MHC class II biosynthetic process / TRIF-mediated programmed cell death / positive regulation of cellular response to macrophage colony-stimulating factor stimulus / TRAF6-mediated induction of TAK1 complex within TLR4 complex ...MyD88-independent TLR4 cascade  / Caspase activation via Death Receptors in the presence of ligand / Toll Like Receptor 4 (TLR4) Cascade / Heme signaling / nitric oxide production involved in inflammatory response / Regulation of TLR by endogenous ligand / MHC class II biosynthetic process / TRIF-mediated programmed cell death / positive regulation of cellular response to macrophage colony-stimulating factor stimulus / TRAF6-mediated induction of TAK1 complex within TLR4 complex / IRAK2 mediated activation of TAK1 complex upon TLR7/8 or 9 stimulation / Regulation of TBK1, IKKε (IKBKE)-mediated activation of IRF3, IRF7  / Activation of IRF3, IRF7 mediated by TBK1, IKKε (IKBKE) / lipopolysaccharide immune receptor activity / positive regulation of nucleotide-binding oligomerization domain containing 1 signaling pathway / positive regulation of matrix metallopeptidase secretion / IKK complex recruitment mediated by RIP1 / Toll-like receptor 4 binding / mast cell activation / lipopolysaccharide receptor complex / detection of lipopolysaccharide / positive regulation of lymphocyte proliferation / regulation of dendritic cell cytokine production / negative regulation of interleukin-23 production / cellular response to oxidised low-density lipoprotein particle stimulus / wound healing involved in inflammatory response / lymphocyte proliferation / B cell proliferation involved in immune response / nucleotide-binding oligomerization domain containing 1 signaling pathway / positive regulation of nucleotide-binding oligomerization domain containing 2 signaling pathway / activation of NF-kappaB-inducing kinase activity / positive regulation of stress-activated MAPK cascade / intestinal epithelial structure maintenance / positive regulation of interleukin-13 production / positive regulation of interleukin-1 production / macrophage activation / astrocyte development / TRIF-dependent toll-like receptor signaling pathway / microglia differentiation / NAD+ nucleosidase activity, cyclic ADP-ribose generating / nucleotide-binding oligomerization domain containing 2 signaling pathway / positive regulation of MHC class II biosynthetic process / positive regulation of macrophage activation / positive regulation of platelet activation / positive regulation of lipopolysaccharide-mediated signaling pathway / negative regulation of interleukin-17 production / positive regulation of cytokine production involved in inflammatory response / positive regulation of chemokine (C-X-C motif) ligand 2 production / positive regulation of extrinsic apoptotic signaling pathway / negative regulation of cold-induced thermogenesis / positive regulation of macrophage cytokine production / MyD88-dependent toll-like receptor signaling pathway / positive regulation of smooth muscle cell migration / toll-like receptor 4 signaling pathway / toll-like receptor signaling pathway / positive regulation of NLRP3 inflammasome complex assembly / positive regulation of reactive oxygen species biosynthetic process / cellular response to lipoteichoic acid / negative regulation of interleukin-6 production / negative regulation of type II interferon production / B cell proliferation / positive regulation of interferon-alpha production / positive regulation of interleukin-10 production / negative regulation of tumor necrosis factor production / phagocytosis / phagocytic cup / stress-activated MAPK cascade / positive regulation of chemokine production / JNK cascade / cellular response to platelet-derived growth factor stimulus / ruffle / positive regulation of B cell proliferation / neurogenesis / ERK1 and ERK2 cascade / nitric oxide biosynthetic process / positive regulation of interleukin-12 production / positive regulation of smooth muscle cell proliferation / activation of innate immune response / positive regulation of interferon-beta production / lipopolysaccharide-mediated signaling pathway / positive regulation of interleukin-1 beta production / positive regulation of interleukin-8 production / response to bacterium / positive regulation of JNK cascade / lipopolysaccharide binding / cellular response to mechanical stimulus / positive regulation of non-canonical NF-kappaB signal transduction / positive regulation of NF-kappaB transcription factor activity / negative regulation of ERK1 and ERK2 cascade / cellular response to type II interferon / positive regulation of interleukin-6 production / positive regulation of type II interferon production / cellular response to amyloid-beta / positive regulation of inflammatory response / positive regulation of nitric oxide biosynthetic process / positive regulation of tumor necrosis factor production / transmembrane signaling receptor activity / cellular response to lipopolysaccharide / regulation of inflammatory response / response to lipopolysaccharide 類似検索 - 分子機能  | ||||||||||||
| 生物種 | ![]()  Eptatretus burgeri (ヌタウナギ) | ||||||||||||
| 手法 |  X線回折 /  シンクロトロン /  分子置換 / 解像度: 2.91 Å  | ||||||||||||
 データ登録者 | Wang, Y. / Su, L. / Morin, M.D. / Jones, B.T. / Whitby, L.R. / Surakattula, M. / Huang, H. / Shi, H. / Choi, J.H. / Wang, K. ...Wang, Y. / Su, L. / Morin, M.D. / Jones, B.T. / Whitby, L.R. / Surakattula, M. / Huang, H. / Shi, H. / Choi, J.H. / Wang, K. / Moresco, E.M. / Berger, M. / Zhan, X. / Zhang, H. / Boger, D.L. / Beutler, B. | ||||||||||||
 引用 |  ジャーナル: Proc.Natl.Acad.Sci.USA / 年: 2016タイトル: TLR4/MD-2 activation by a synthetic agonist with no similarity to LPS. 著者: Wang, Y. / Su, L. / Morin, M.D. / Jones, B.T. / Whitby, L.R. / Surakattula, M.M. / Huang, H. / Shi, H. / Choi, J.H. / Wang, K.W. / Moresco, E.M. / Berger, M. / Zhan, X. / Zhang, H. / Boger, D.L. / Beutler, B.  | ||||||||||||
| 履歴 | 
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構造の表示
| 構造ビューア | 分子:  Molmil Jmol/JSmol | 
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ダウンロードとリンク
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ダウンロード
| PDBx/mmCIF形式 |  5ijb.cif.gz | 596 KB | 表示 |  PDBx/mmCIF形式 | 
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| PDB形式 |  pdb5ijb.ent.gz | 497.2 KB | 表示 |  PDB形式 | 
| PDBx/mmJSON形式 |  5ijb.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 |  5ijb_validation.pdf.gz | 2.3 MB | 表示 |  wwPDB検証レポート | 
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| 文書・詳細版 |  5ijb_full_validation.pdf.gz | 2.4 MB | 表示 | |
| XML形式データ |  5ijb_validation.xml.gz | 54.5 KB | 表示 | |
| CIF形式データ |  5ijb_validation.cif.gz | 73.8 KB | 表示 | |
| アーカイブディレクトリ |  https://data.pdbj.org/pub/pdb/validation_reports/ij/5ijb ftp://data.pdbj.org/pub/pdb/validation_reports/ij/5ijb | HTTPS FTP  | 
-関連構造データ
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リンク
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集合体
| 登録構造単位 | ![]() 
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| 1 | ![]() 
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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: 67280.703 Da / 分子数: 2 断片: TLR4 ectodomain (UNP residues 26-544) + VLRB (UNP residues 126-200) 由来タイプ: 組換発現 由来: (組換発現) ![]()  Eptatretus burgeri (ヌタウナギ)遺伝子: Tlr4, Lps, VLRB 発現宿主: ![]() 参照: UniProt: Q9QUK6, UniProt: Q4G1L2 #2: タンパク質 | 分子量: 17392.793 Da / 分子数: 2 / 断片: UNP residues 19-160 / 由来タイプ: 組換発現 / 由来: (組換発現)  ![]() 発現宿主: ![]() 参照: UniProt: Q9JHF9 #3: 多糖 | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose #4: 糖 | ChemComp-NAG / 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: 3.3 Å3/Da / 溶媒含有率: 62.69 % | 
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| 結晶化 | 温度: 293 K / 手法: 蒸気拡散法, ハンギングドロップ法 / pH: 7.5 / 詳細: 0.1 M Bicine, pH 7.5, 12% PEG10000 | 
-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:  APS   / ビームライン: 19-ID / 波長: 0.97918 Å | 
| 検出器 | タイプ: ADSC QUANTUM 315r / 検出器: CCD / 日付: 2014年11月5日 | 
| 放射 | モノクロメーター: double crystal Si(111) / 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: 0.97918 Å / 相対比: 1 | 
| 反射 | 解像度: 2.9→50 Å / Num. obs: 51785 / % possible obs: 99.6 % / 冗長度: 7.9 % / Rmerge(I) obs: 0.083 / Net I/av σ(I): 27.052 / Net I/σ(I): 8.7 | 
| 反射 シェル | 解像度: 2.9→2.95 Å | 
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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: PDB entry 2Z64 解像度: 2.91→48.81 Å / Cor.coef. Fo:Fc: 0.918 / Cor.coef. Fo:Fc free: 0.886 / SU B: 45.049 / SU ML: 0.379 / 交差検証法: THROUGHOUT / ESU R: 1.964 / ESU R Free: 0.448 / 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: 100.275 Å2
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| 精密化ステップ | サイクル: LAST / 解像度: 2.91→48.81 Å
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| 拘束条件 | 
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万見について





Eptatretus burgeri (ヌタウナギ)
X線回折
引用












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