+データを開く
-基本情報
登録情報 | データベース: PDB / ID: 1bth | ||||||
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タイトル | STRUCTURE OF THROMBIN COMPLEXED WITH BOVINE PANCREATIC TRYPSIN INHIBITOR | ||||||
要素 |
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キーワード | COMPLEX (SERINE PROTEASE/INHIBITOR) / THROMBIN INHIBITOR / SERINE PROTEINASE KUNITZ-LIKE INHIBITOR / (SERINE PROTEASE/INHIBITOR) / COMPLEX (SERINE PROTEASE-INHIBITOR) COMPLEX | ||||||
機能・相同性 | 機能・相同性情報 trypsinogen activation / negative regulation of serine-type endopeptidase activity / sulfate binding / potassium channel inhibitor activity / negative regulation of platelet aggregation / zymogen binding / molecular function inhibitor activity / positive regulation of lipid kinase activity / cytolysis by host of symbiont cells / positive regulation of phospholipase C-activating G protein-coupled receptor signaling pathway ...trypsinogen activation / negative regulation of serine-type endopeptidase activity / sulfate binding / potassium channel inhibitor activity / negative regulation of platelet aggregation / zymogen binding / molecular function inhibitor activity / positive regulation of lipid kinase activity / cytolysis by host of symbiont cells / positive regulation of phospholipase C-activating G protein-coupled receptor signaling pathway / thrombospondin receptor activity / Defective factor XII causes hereditary angioedema / thrombin / negative regulation of thrombin-activated receptor signaling pathway / regulation of blood coagulation / neutrophil-mediated killing of gram-negative bacterium / ligand-gated ion channel signaling pathway / Defective F8 cleavage by thrombin / Platelet Aggregation (Plug Formation) / negative regulation of astrocyte differentiation / negative regulation of platelet activation / positive regulation of collagen biosynthetic process / negative regulation of cytokine production involved in inflammatory response / positive regulation of blood coagulation / negative regulation of fibrinolysis / Gamma-carboxylation of protein precursors / Transport of gamma-carboxylated protein precursors from the endoplasmic reticulum to the Golgi apparatus / Common Pathway of Fibrin Clot Formation / Removal of aminoterminal propeptides from gamma-carboxylated proteins / serine protease inhibitor complex / fibrinolysis / regulation of cytosolic calcium ion concentration / Intrinsic Pathway of Fibrin Clot Formation / Peptide ligand-binding receptors / positive regulation of release of sequestered calcium ion into cytosol / acute-phase response / Regulation of Complement cascade / negative regulation of proteolysis / Cell surface interactions at the vascular wall / lipopolysaccharide binding / positive regulation of receptor signaling pathway via JAK-STAT / growth factor activity / serine-type endopeptidase inhibitor activity / positive regulation of insulin secretion / platelet activation / response to wounding / positive regulation of protein localization to nucleus / Golgi lumen / Regulation of Insulin-like Growth Factor (IGF) transport and uptake by Insulin-like Growth Factor Binding Proteins (IGFBPs) / positive regulation of reactive oxygen species metabolic process / blood coagulation / antimicrobial humoral immune response mediated by antimicrobial peptide / Thrombin signalling through proteinase activated receptors (PARs) / heparin binding / regulation of cell shape / positive regulation of cell growth / protease binding / G alpha (q) signalling events / collagen-containing extracellular matrix / blood microparticle / positive regulation of phosphatidylinositol 3-kinase/protein kinase B signal transduction / cell surface receptor signaling pathway / positive regulation of protein phosphorylation / G protein-coupled receptor signaling pathway / endoplasmic reticulum lumen / serine-type endopeptidase activity / signaling receptor binding / positive regulation of cell population proliferation / calcium ion binding / proteolysis / extracellular space / extracellular exosome / extracellular region / plasma membrane 類似検索 - 分子機能 | ||||||
生物種 | Bos taurus (ウシ) | ||||||
手法 | X線回折 / 解像度: 2.3 Å | ||||||
データ登録者 | Van De Locht, A. / Bode, W. / Stubbs, M.T. | ||||||
引用 | ジャーナル: EMBO J. / 年: 1997 タイトル: The thrombin E192Q-BPTI complex reveals gross structural rearrangements: implications for the interaction with antithrombin and thrombomodulin. 著者: van de Locht, A. / Bode, W. / Huber, R. / Le Bonniec, B.F. / Stone, S.R. / Esmon, C.T. / Stubbs, M.T. #1: ジャーナル: Embo J. / 年: 1996 タイトル: The Ornithodorin-Thrombin Crystal Structure, a Key to the Tap Enigma? 著者: Van De Locht, A. / Stubbs, M.T. / Bode, W. / Friedrich, T. / Bollschweiler, C. / Hoffken, W. / Huber, R. #2: ジャーナル: Embo J. / 年: 1995 タイトル: Two Heads are Better Than One: Crystal Structure of the Insect Derived Double Domain Kazal Inhibitor Rhodniin in Complex with Thrombin 著者: Van De Locht, A. / Lamba, D. / Bauer, M. / Huber, R. / Friedrich, T. / Kroger, B. / Hoffken, W. / Bode, W. #3: ジャーナル: Embo J. / 年: 1989 タイトル: The Refined 1.9 A Crystal Structure of Human Alpha-Thrombin: Interaction with D-Phe-Pro-Arg Chloromethylketone and Significance of the Tyr-Pro-Pro-Trp Insertion Segment 著者: Bode, W. / Mayr, I. / Baumann, U. / Huber, R. / Stone, S.R. / Hofsteenge, J. | ||||||
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 | 1bth.cif.gz | 151.7 KB | 表示 | PDBx/mmCIF形式 |
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PDB形式 | pdb1bth.ent.gz | 125.4 KB | 表示 | PDB形式 |
PDBx/mmJSON形式 | 1bth.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 | 1bth_validation.pdf.gz | 401.2 KB | 表示 | wwPDB検証レポート |
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文書・詳細版 | 1bth_full_validation.pdf.gz | 416.7 KB | 表示 | |
XML形式データ | 1bth_validation.xml.gz | 16.4 KB | 表示 | |
CIF形式データ | 1bth_validation.cif.gz | 25.4 KB | 表示 | |
アーカイブディレクトリ | https://data.pdbj.org/pub/pdb/validation_reports/bt/1bth ftp://data.pdbj.org/pub/pdb/validation_reports/bt/1bth | HTTPS FTP |
-関連構造データ
-リンク
-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・ペプチド | 分子量: 4096.534 Da / 分子数: 2 / 変異: E192Q / 由来タイプ: 組換発現 / 由来: (組換発現) Bos taurus (ウシ) / 器官: LUNG / 細胞株 (発現宿主): BHK-21 / 発現宿主: Mesocricetus auratus (ネズミ) / 参照: UniProt: P00734, thrombin #2: タンパク質 | 分子量: 29809.262 Da / 分子数: 2 / 変異: E192Q / 由来タイプ: 組換発現 / 由来: (組換発現) Bos taurus (ウシ) / 器官: LUNG / 細胞株 (発現宿主): BHK-21 / 発現宿主: Mesocricetus auratus (ネズミ) / 参照: UniProt: P00734, thrombin #3: タンパク質 | 分子量: 6527.568 Da / 分子数: 2 / 由来タイプ: 天然 / 由来: (天然) Bos taurus (ウシ) / 器官: LUNG / 参照: UniProt: P00974 #4: 水 | ChemComp-HOH / | |
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-実験情報
-実験
実験 | 手法: X線回折 |
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-試料調製
結晶 | マシュー密度: 2.73 Å3/Da / 溶媒含有率: 52 % | |||||||||||||||
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結晶化 | *PLUS 温度: 20 ℃ / 手法: 蒸気拡散法, ハンギングドロップ法 / PH range low: 7.5 / PH range high: 7 | |||||||||||||||
溶液の組成 | *PLUS
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-データ収集
放射光源 | 波長: 1.5418 |
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検出器 | タイプ: MARRESEARCH / 検出器: IMAGE PLATE / 日付: 1995年10月10日 |
放射 | 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 | Num. obs: 109248 / % possible obs: 0.983 % / Observed criterion σ(I): 3 / 冗長度: 2.5 % / Rmerge(I) obs: 0.1 |
反射 | *PLUS 最高解像度: 2.3 Å / 最低解像度: 9999 Å / Num. obs: 37833 / % possible obs: 0.994 % / Num. measured all: 98344 / Rmerge(I) obs: 0.1 |
反射 シェル | *PLUS 最高解像度: 2.3 Å / 最低解像度: 2.38 Å / % possible obs: 97.8 % / Rmerge(I) obs: 0.303 |
-解析
ソフトウェア |
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精密化 | 解像度: 2.3→6 Å / σ(F): 2 /
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精密化ステップ | サイクル: LAST / 解像度: 2.3→6 Å
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拘束条件 |
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ソフトウェア | *PLUS 名称: X-PLOR / バージョン: 3.1 / 分類: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
精密化 | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
溶媒の処理 | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
原子変位パラメータ | *PLUS |