+データを開く
-基本情報
登録情報 | データベース: PDB / ID: 2z65 | |||||||||
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タイトル | Crystal structure of the human TLR4 TV3 hybrid-MD-2-Eritoran complex | |||||||||
要素 |
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キーワード | IMMUNE SYSTEM (免疫系) / TLR4 (TLR4) / toll-like receptor (Toll様受容体) / MD-2 / LPS / E5564 / eritoran (エリトラン) / Glycoprotein (糖タンパク質) / Immune response (免疫応答) / Inflammatory response (炎症) / Innate immunity (自然免疫系) / Leucine-rich repeat (ロイシンリッチリピート) / Membrane (生体膜) / Transmembrane (膜貫通型タンパク質) / Secreted (分泌) | |||||||||
機能・相同性 | 機能・相同性情報 nitric oxide production involved in inflammatory response / MHC class II biosynthetic process / detection of fungus / positive regulation of cellular response to macrophage colony-stimulating factor stimulus / lipopolysaccharide immune receptor activity / Toll-like receptor 4 binding / positive regulation of nucleotide-binding oligomerization domain containing 1 signaling pathway / lipopolysaccharide receptor complex / positive regulation of matrix metallopeptidase secretion / detection of lipopolysaccharide ...nitric oxide production involved in inflammatory response / MHC class II biosynthetic process / detection of fungus / positive regulation of cellular response to macrophage colony-stimulating factor stimulus / lipopolysaccharide immune receptor activity / Toll-like receptor 4 binding / positive regulation of nucleotide-binding oligomerization domain containing 1 signaling pathway / lipopolysaccharide receptor complex / positive regulation of matrix metallopeptidase secretion / detection of lipopolysaccharide / regulation of dendritic cell cytokine production / intestinal epithelial structure maintenance / MyD88-independent TLR4 cascade / negative regulation of interleukin-23 production / TRIF-mediated programmed cell death / I-kappaB phosphorylation / cellular response to oxidised low-density lipoprotein particle stimulus / positive regulation of nucleotide-binding oligomerization domain containing 2 signaling pathway / wound healing involved in inflammatory response / Caspase activation via Death Receptors in the presence of ligand / B cell proliferation involved in immune response / nucleotide-binding oligomerization domain containing 1 signaling pathway / Toll Like Receptor 4 (TLR4) Cascade / positive regulation of interleukin-1 production / positive regulation of lipopolysaccharide-mediated signaling pathway / マクロファージ / Regulation of TLR by endogenous ligand / microglia differentiation / astrocyte development / TRIF-dependent toll-like receptor signaling pathway / positive regulation of macrophage activation / NAD+ nucleotidase, cyclic ADP-ribose generating / negative regulation of interleukin-17 production / positive regulation of cytokine production involved in inflammatory response / NADP+ nucleosidase activity / nucleotide-binding oligomerization domain containing 2 signaling pathway / positive regulation of MHC class II biosynthetic process / positive regulation of platelet activation / positive regulation of chemokine (C-X-C motif) ligand 2 production / MyD88 deficiency (TLR2/4) / 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 reactive oxygen species biosynthetic process / IRAK4 deficiency (TLR2/4) / MyD88:MAL(TIRAP) cascade initiated on plasma membrane / toll-like receptor 4 signaling pathway / Toll様受容体 / phagocytic cup / positive regulation of NLRP3 inflammasome complex assembly / T-helper 1 type immune response / cellular response to platelet-derived growth factor stimulus / positive regulation of smooth muscle cell migration / negative regulation of osteoclast differentiation / positive regulation of nitric-oxide synthase biosynthetic process / positive regulation of interferon-alpha production / cellular response to lipoteichoic acid / negative regulation of interleukin-6 production / positive regulation of interleukin-10 production / negative regulation of type II interferon production / negative regulation of tumor necrosis factor production / cellular defense response / coreceptor activity / 食作用 / positive regulation of B cell proliferation / positive regulation of chemokine production / JNK cascade / lipopolysaccharide-mediated signaling pathway / ERK1 and ERK2 cascade / ruffle / IRAK2 mediated activation of TAK1 complex upon TLR7/8 or 9 stimulation / nitric oxide biosynthetic process / TRAF6-mediated induction of TAK1 complex within TLR4 complex / positive regulation of interleukin-12 production / positive regulation of interferon-beta production / Activation of IRF3, IRF7 mediated by TBK1, IKKε (IKBKE) / IKK complex recruitment mediated by RIP1 / positive regulation of interleukin-1 beta production / positive regulation of interleukin-8 production / lipopolysaccharide binding / positive regulation of smooth muscle cell proliferation / positive regulation of JNK cascade / Heme signaling / positive regulation of MAP kinase activity / negative regulation of ERK1 and ERK2 cascade / positive regulation of inflammatory response / cellular response to type II interferon / positive regulation of interleukin-6 production / positive regulation of non-canonical NF-kappaB signal transduction / cellular response to mechanical stimulus / cellular response to amyloid-beta / positive regulation of nitric oxide biosynthetic process / positive regulation of type II interferon production / transmembrane signaling receptor activity / positive regulation of tumor necrosis factor production / signaling receptor activity / 遺伝子発現 / positive regulation of NF-kappaB transcription factor activity / amyloid-beta binding 類似検索 - 分子機能 | |||||||||
生物種 | Homo sapiens (ヒト) 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: 2.7 Å | |||||||||
データ登録者 | Lee, J.-O. / Kim, H.M. / Park, B.S. | |||||||||
引用 | ジャーナル: Cell(Cambridge,Mass.) / 年: 2007 タイトル: Crystal Structure of the TLR4-MD-2 Complex with Bound Endotoxin Antagonist Eritoran 著者: Kim, H.M. / Park, B.S. / Kim, J.-I. / Kim, S.E. / Lee, J. / Oh, S.C. / Enkhbayar, P. / Matsushima, N. / Lee, H. / Yoo, O.J. / Lee, J.-O. | |||||||||
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 | 2z65.cif.gz | 191.8 KB | 表示 | PDBx/mmCIF形式 |
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PDB形式 | pdb2z65.ent.gz | 150.9 KB | 表示 | PDB形式 |
PDBx/mmJSON形式 | 2z65.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/z6/2z65 ftp://data.pdbj.org/pub/pdb/validation_reports/z6/2z65 | 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: 1 / Refine code: 1
NCSアンサンブル:
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詳細 | AUTHOR DETERMINED BIOLOGICAL UNIT: UNKNOWN |
-要素
-タンパク質 , 2種, 4分子 ABCD
#1: タンパク質 | 分子量: 31141.719 Da / 分子数: 2 断片: TV3, UNP residues 27-228(human), E5564, UNP residues 19-158(Inshore hagfish) 由来タイプ: 組換発現 由来: (組換発現) Homo sapiens (ヒト), (組換発現) Eptatretus burgeri (ヌタウナギ) 遺伝子: TLR4, VLRB.61 / プラスミド: pVL1393 発現宿主: Spodoptera frugiperda (ツマジロクサヨトウ) 株 (発現宿主): Hi-5 / 参照: UniProt: O00206, UniProt: Q4G1L2 #2: タンパク質 | 分子量: 16184.761 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: MD-2 / プラスミド: pVL1393 発現宿主: Spodoptera frugiperda (ツマジロクサヨトウ) 株 (発現宿主): Hi-5 / 参照: UniProt: Q9Y6Y9 |
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-糖 , 2種, 6分子
#3: 多糖 | beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta- ...beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose |
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#4: 糖 | ChemComp-NAG / |
-非ポリマー , 2種, 165分子
#5: 化合物 | #6: 水 | ChemComp-HOH / | |
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-詳細
非ポリマーの詳細 | POLYSACCHARIDES WERE ORIGINALLY ASSIGNED TO CHAINS M1401, M(1301-1304), M1201, N1401, N1301, AND ...POLYSACCHA |
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配列の詳細 | THIS CONSTRUCT INCLUDES A LINKER THAT CONSIST OF 229TH LYS AND 230TH GLU. |
-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: 3.09 Å3/Da / 溶媒含有率: 60.24 % |
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結晶化 | 温度: 296 K / 手法: 蒸気拡散法 / pH: 4.5 詳細: 0.2M Ammonium Sulfate, 0.1M Sodium Acetate, 20% PEG 4000, 5% Ethanol, pH 4.5, VAPOR DIFFUSION, temperature 296K |
-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: SPring-8 / ビームライン: BL41XU / 波長: 1 Å |
検出器 | タイプ: ADSC QUANTUM 315 / 検出器: CCD / 日付: 2007年4月10日 / 詳細: mirrors |
放射 | モノクロメーター: SAGITALLY FOCUSED 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: 1 Å / 相対比: 1 |
反射 | 解像度: 2.7→50 Å / Num. all: 30860 / Num. obs: 27898 / % possible obs: 90.4 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / 冗長度: 3 % / Rsym value: 0.089 |
-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 2Z62, 2Z64 解像度: 2.7→20 Å / Cor.coef. Fo:Fc: 0.912 / Cor.coef. Fo:Fc free: 0.864 / SU B: 33.68 / SU ML: 0.35 / TLS residual ADP flag: LIKELY RESIDUAL / 交差検証法: THROUGHOUT / ESU R Free: 0.414 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD
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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: 1.4 Å / 溶媒モデル: BABINET MODEL WITH MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
原子変位パラメータ | Biso mean: 50.542 Å2
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精密化ステップ | サイクル: LAST / 解像度: 2.7→20 Å
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拘束条件 |
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Refine LS restraints NCS | Refine-ID: X-RAY DIFFRACTION
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LS精密化 シェル | 解像度: 2.7→2.769 Å / Total num. of bins used: 20
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精密化 TLS | 手法: refined / Refine-ID: X-RAY DIFFRACTION
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精密化 TLSグループ |
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