+データを開く
-基本情報
登録情報 | データベース: PDB / ID: 1xmn | |||||||||
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タイトル | Crystal structure of thrombin bound to heparin | |||||||||
要素 |
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キーワード | HYDROLASE/HYDROLASE INHIBITOR / BLOOD CLOTTING / HYDROLASE-HYDROLASE INHIBITOR complex | |||||||||
機能・相同性 | 機能・相同性情報 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 / regulation of blood coagulation / neutrophil-mediated killing of gram-negative bacterium / ligand-gated ion channel signaling pathway / Defective F8 cleavage by thrombin ...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 / 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 / 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 / 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 / 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 | Homo sapiens (ヒト) | |||||||||
手法 | X線回折 / シンクロトロン / 分子置換 / 解像度: 1.85 Å | |||||||||
データ登録者 | Carter, W.J. / Cama, E. / Huntington, J.A. | |||||||||
引用 | ジャーナル: J.Biol.Chem. / 年: 2005 タイトル: Crystal structure of thrombin bound to heparin 著者: Carter, W.J. / Cama, E. / Huntington, J.A. | |||||||||
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 | 1xmn.cif.gz | 272.6 KB | 表示 | PDBx/mmCIF形式 |
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PDB形式 | pdb1xmn.ent.gz | 217.8 KB | 表示 | PDB形式 |
PDBx/mmJSON形式 | 1xmn.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 | 1xmn_validation.pdf.gz | 3.4 MB | 表示 | wwPDB検証レポート |
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文書・詳細版 | 1xmn_full_validation.pdf.gz | 3.5 MB | 表示 | |
XML形式データ | 1xmn_validation.xml.gz | 56.8 KB | 表示 | |
CIF形式データ | 1xmn_validation.cif.gz | 79.5 KB | 表示 | |
アーカイブディレクトリ | https://data.pdbj.org/pub/pdb/validation_reports/xm/1xmn ftp://data.pdbj.org/pub/pdb/validation_reports/xm/1xmn | HTTPS FTP |
-関連構造データ
関連構造データ | 1ppbS S: 精密化の開始モデル |
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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
-タンパク質・ペプチド / タンパク質 , 2種, 8分子 ACEGBDFH
#1: タンパク質・ペプチド | 分子量: 4096.534 Da / 分子数: 4 / 由来タイプ: 天然 / 由来: (天然) Homo sapiens (ヒト) / 参照: UniProt: P00734, thrombin #2: タンパク質 | 分子量: 29780.219 Da / 分子数: 4 / 由来タイプ: 天然 / 由来: (天然) Homo sapiens (ヒト) / 参照: UniProt: P00734, thrombin |
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-糖 , 5種, 6分子
#3: 多糖 | 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid- ...2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid | ||
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#4: 多糖 | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | ||
#5: 多糖 | 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid- ...2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose | ||
#6: 多糖 | #7: 多糖 | alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2- ...alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | |
-非ポリマー , 4種, 766分子
#8: 化合物 | ChemComp-0G6 / #9: 化合物 | ChemComp-NA / #10: 化合物 | ChemComp-GOL / #11: 水 | ChemComp-HOH / | |
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-詳細
Has protein modification | Y |
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非ポリマーの詳細 | RESIDUES SGN B 2-IDS B 7 AND SGN D 2-SGN D 6 ARE HEPARIN. HEPARIN OBTAINED FROM LUNG MUCOSA OF SUS ...RESIDUES SGN B 2-IDS B 7 AND SGN D 2-SGN D 6 ARE HEPARIN. HEPARIN OBTAINED FROM LUNG MUCOSA OF SUS SCROFA, AND DEPOLYMERI |
-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: 2.5 Å3/Da / 溶媒含有率: 50.6 % |
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結晶化 | 温度: 298 K / 手法: 蒸気拡散法, ハンギングドロップ法 / pH: 8 詳細: PEG 3350, Sodium Citrate, glycerol, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
-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: SRS / ビームライン: PX14.2 / 波長: 0.9781 Å |
検出器 | タイプ: ADSC QUANTUM 4 / 検出器: CCD / 日付: 2003年6月30日 |
放射 | モノクロメーター: 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: 0.9781 Å / 相対比: 1 |
反射 | 解像度: 1.85→40 Å / Num. all: 123254 / Num. obs: 118543 / % possible obs: 96.1 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / 冗長度: 4.3 % / Biso Wilson estimate: 24.6 Å2 / Rmerge(I) obs: 0.09 / Rsym value: 0.09 / Net I/σ(I): 5.6 |
反射 シェル | 解像度: 1.85→1.95 Å / 冗長度: 2.1 % / Rmerge(I) obs: 0.438 / Mean I/σ(I) obs: 2.1 / Rsym value: 0.438 / % possible all: 87.1 |
-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: 1PPB 解像度: 1.85→36.6 Å / 交差検証法: THROUGHOUT / σ(F): 0 / 立体化学のターゲット値: Engh & Huber
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精密化ステップ | サイクル: LAST / 解像度: 1.85→36.6 Å
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LS精密化 シェル | 解像度: 1.85→1.97 Å / Rfactor Rfree error: 0.015
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