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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: 5nj6 | ||||||
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タイトル | Crystal structure of a thermostabilised human protease-activated receptor-2 (PAR2) in ternary complex with Fab3949 and AZ7188 at 4.0 angstrom resolution | ||||||
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![]() | MEMBRANE PROTEIN / GPCR / 7TM | ||||||
機能・相同性 | ![]() positive regulation of neutrophil mediated killing of gram-negative bacterium / potassium channel activating, G protein-coupled receptor signaling pathway / positive regulation of renin secretion into blood stream / positive regulation of eosinophil degranulation / leukocyte proliferation / mature conventional dendritic cell differentiation / regulation of chemokine (C-X-C motif) ligand 2 production / positive regulation of glomerular filtration / negative regulation of toll-like receptor 3 signaling pathway / positive regulation of toll-like receptor 3 signaling pathway ...positive regulation of neutrophil mediated killing of gram-negative bacterium / potassium channel activating, G protein-coupled receptor signaling pathway / positive regulation of renin secretion into blood stream / positive regulation of eosinophil degranulation / leukocyte proliferation / mature conventional dendritic cell differentiation / regulation of chemokine (C-X-C motif) ligand 2 production / positive regulation of glomerular filtration / negative regulation of toll-like receptor 3 signaling pathway / positive regulation of toll-like receptor 3 signaling pathway / thrombin-activated receptor activity / positive regulation of toll-like receptor 2 signaling pathway / positive regulation of actin filament depolymerization / cell-cell junction maintenance / positive regulation of cytokine production involved in immune response / positive regulation of toll-like receptor 4 signaling pathway / T cell activation involved in immune response / positive regulation of pseudopodium assembly / negative regulation of chemokine production / positive regulation of phagocytosis, engulfment / positive regulation of chemotaxis / negative regulation of JNK cascade / neutrophil activation / establishment of endothelial barrier / regulation of canonical NF-kappaB signal transduction / positive regulation of positive chemotaxis / positive regulation of leukocyte chemotaxis / positive regulation of Rho protein signal transduction / leukocyte migration / pseudopodium / regulation of blood coagulation / positive regulation of interleukin-10 production / regulation of JNK cascade / negative regulation of tumor necrosis factor-mediated signaling pathway / G-protein alpha-subunit binding / negative regulation of insulin secretion / positive regulation of chemokine production / Peptide ligand-binding receptors / positive regulation of superoxide anion generation / positive regulation of GTPase activity / positive regulation of interleukin-1 beta production / G protein-coupled receptor activity / positive regulation of interleukin-8 production / electron transport chain / positive regulation of JNK cascade / vasodilation / positive regulation of interleukin-6 production / G-protein beta-subunit binding / positive regulation of type II interferon production / blood coagulation / signaling receptor activity / positive regulation of cytosolic calcium ion concentration / G alpha (q) signalling events / positive regulation of canonical NF-kappaB signal transduction / defense response to virus / protease binding / periplasmic space / electron transfer activity / positive regulation of phosphatidylinositol 3-kinase/protein kinase B signal transduction / positive regulation of ERK1 and ERK2 cascade / early endosome / positive regulation of cell migration / inflammatory response / iron ion binding / G protein-coupled receptor signaling pathway / innate immune response / signaling receptor binding / heme binding / Golgi apparatus / positive regulation of transcription by RNA polymerase II / plasma membrane 類似検索 - 分子機能 | ||||||
生物種 | ![]() ![]() ![]() ![]() ![]() | ||||||
手法 | ![]() ![]() ![]() | ||||||
![]() | Cheng, R.K.Y. / Fiez-Vandal, C. / Schlenker, O. / Edman, K. / Aggeler, B. / Brown, D.G. / Brown, G. / Cooke, R.M. / Dumelin, C.E. / Dore, A.S. ...Cheng, R.K.Y. / Fiez-Vandal, C. / Schlenker, O. / Edman, K. / Aggeler, B. / Brown, D.G. / Brown, G. / Cooke, R.M. / Dumelin, C.E. / Dore, A.S. / Geschwindner, S. / Grebner, C. / Hermansson, N.-O. / Jazayeri, A. / Johansson, P. / Leong, L. / Prihandoko, R. / Rappas, M. / Soutter, H. / Snijder, A. / Sundstrom, L. / Tehan, B. / Thornton, P. / Troast, D. / Wiggin, G. / Zhukov, A. / Marshall, F.H. / Dekker, N. | ||||||
![]() | ![]() タイトル: Structural insight into allosteric modulation of protease-activated receptor 2. 著者: Cheng, R.K.Y. / Fiez-Vandal, C. / Schlenker, O. / Edman, K. / Aggeler, B. / Brown, D.G. / Brown, G.A. / Cooke, R.M. / Dumelin, C.E. / Dore, A.S. / Geschwindner, S. / Grebner, C. / Hermansson, ...著者: Cheng, R.K.Y. / Fiez-Vandal, C. / Schlenker, O. / Edman, K. / Aggeler, B. / Brown, D.G. / Brown, G.A. / Cooke, R.M. / Dumelin, C.E. / Dore, A.S. / Geschwindner, S. / Grebner, C. / Hermansson, N.O. / Jazayeri, A. / Johansson, P. / Leong, L. / Prihandoko, R. / Rappas, M. / Soutter, H. / Snijder, A. / Sundstrom, L. / Tehan, B. / Thornton, P. / Troast, D. / Wiggin, G. / Zhukov, A. / Marshall, F.H. / Dekker, N. | ||||||
履歴 |
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構造の表示
構造ビューア | 分子: ![]() ![]() |
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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 | ![]() | 174.1 KB | 表示 | ![]() |
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PDB形式 | ![]() | 134.9 KB | 表示 | ![]() |
PDBx/mmJSON形式 | ![]() | ツリー表示 | ![]() | |
その他 | ![]() |
-検証レポート
文書・要旨 | ![]() | 303 KB | 表示 | ![]() |
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文書・詳細版 | ![]() | 306.1 KB | 表示 | |
XML形式データ | ![]() | 29 KB | 表示 | |
アーカイブディレクトリ | ![]() ![]() | 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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単位格子 |
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要素
#1: タンパク質 | 分子量: 49212.621 Da / 分子数: 1 変異: G89A, H108A, G157A, M166L, Y174A, V176E, N222Q, M268A, I289A, L293A,G89A, H108A, G157A, M166L, Y174A, V176E, N222Q, M268A, I289A, L293A,G89A, H108A, G157A, M166L, Y174A, V176E, N222Q, M268A, I289A, L293A 由来タイプ: 組換発現 由来: (組換発現) ![]() ![]() ![]() 遺伝子: F2RL1, GPR11, PAR2, cybC / プラスミド: pFASTBAC 発現宿主: ![]() ![]() 株 (発現宿主): Sf9 / 参照: UniProt: P55085, UniProt: P0ABE7 |
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#2: 抗体 | 分子量: 23590.354 Da / 分子数: 1 / 由来タイプ: 組換発現 / 由来: (組換発現) ![]() ![]() ![]() ![]() |
#3: 抗体 | 分子量: 23322.725 Da / 分子数: 1 / 由来タイプ: 組換発現 / 由来: (組換発現) ![]() ![]() ![]() ![]() |
-実験情報
-実験
実験 | 手法: ![]() |
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試料調製
結晶 | マシュー密度: 2.63 Å3/Da / 溶媒含有率: 53.15 % / 解説: NEEDLE SHAPED |
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結晶化 | 温度: 293 K / 手法: 脂質キュービック相法 / pH: 5.7 詳細: 0.1M MES pH 5.5-6.2, 0.2M POTASSIUM / SODIUM TARTRATE, 30-35% (W/V) PEG400, 2% (W/V) 2,5-HEXANEDIOL PH範囲: 5.5-6.2 |
-データ収集
回折 | 平均測定温度: 200 K |
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放射光源 | 由来: ![]() ![]() ![]() |
検出器 | タイプ: DECTRIS PILATUS3 6M / 検出器: PIXEL / 日付: 2014年9月27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: 0.97717 Å / 相対比: 1 |
反射 | 解像度: 4→45.13 Å / Num. obs: 8440 / % possible obs: 93.6 % / 冗長度: 3.3 % / Biso Wilson estimate: 39.33 Å2 / CC1/2: 0.961 / Rmerge(I) obs: 0.315 / Rpim(I) all: 0.185 / Net I/σ(I): 4.2 |
反射 シェル | 解像度: 4→4.47 Å / 冗長度: 3.3 % / Rmerge(I) obs: 0.634 / Mean I/σ(I) obs: 2 / Num. unique obs: 2505 / CC1/2: 0.666 / Rpim(I) all: 0.401 / % possible all: 94.1 |
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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: ![]() 開始モデル: 5NDD 解像度: 4→45.13 Å / Cor.coef. Fo:Fc: 0.81 / Cor.coef. Fo:Fc free: 0.732 / Rfactor Rfree error: 0.01 / 交差検証法: THROUGHOUT / σ(F): 0 / SU Rfree Blow DPI: 1.149
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原子変位パラメータ | Biso mean: 71.15 Å2
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Refine analyze | Luzzati coordinate error obs: 0.76 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
精密化ステップ | サイクル: 1 / 解像度: 4→45.13 Å
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拘束条件 |
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LS精密化 シェル | 解像度: 4→4.47 Å / Rfactor Rfree error: 0 / Total num. of bins used: 5
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