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基本情報
登録情報 | データベース: PDB / ID: 1dxw | ||||||
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タイトル | structure of hetero complex of non structural protein (NS) of hepatitis C virus (HCV) and synthetic peptidic compound | ||||||
![]() | SERINE PROTEASE | ||||||
![]() | HYDROLASE/HYDROLASE INHIBITOR / NON STRUCTURAL PROTEIN / HEPATITIS C VIRUS / SERINE PROTEASE / HYDROLASE-HYDROLASE INHIBITOR COMPLEX | ||||||
機能・相同性 | ![]() host cell lipid droplet / transformation of host cell by virus / host cell mitochondrion / symbiont-mediated suppression of host cytoplasmic pattern recognition receptor signaling pathway via inhibition of MAVS activity / serine-type peptidase activity / ribonucleoside triphosphate phosphatase activity / lipid droplet / protein complex oligomerization / monoatomic ion channel activity / viral nucleocapsid ...host cell lipid droplet / transformation of host cell by virus / host cell mitochondrion / symbiont-mediated suppression of host cytoplasmic pattern recognition receptor signaling pathway via inhibition of MAVS activity / serine-type peptidase activity / ribonucleoside triphosphate phosphatase activity / lipid droplet / protein complex oligomerization / monoatomic ion channel activity / viral nucleocapsid / membrane => GO:0016020 / RNA helicase activity / host cell endoplasmic reticulum membrane / host cell perinuclear region of cytoplasm / symbiont-mediated suppression of host type I interferon-mediated signaling pathway / ribonucleoprotein complex / symbiont entry into host cell / induction by virus of host autophagy / viral RNA genome replication / cysteine-type endopeptidase activity / serine-type endopeptidase activity / RNA-dependent RNA polymerase activity / virus-mediated perturbation of host defense response / fusion of virus membrane with host endosome membrane / viral envelope / virion attachment to host cell / virion membrane / structural molecule activity / proteolysis / RNA binding / zinc ion binding / ATP binding / membrane / cytoplasm 類似検索 - 分子機能 | ||||||
生物種 | ![]() | ||||||
手法 | 溶液NMR / simulated annealing | ||||||
![]() | Barbato, G. / Cicero, D.O. / Cordier, F. / Narjes, F. / Gerlach, B. / Sambucini, S. / Grzesiek, S. / Matassa, V.G. / Defrancesco, R. / Bazzo, R. | ||||||
![]() | ![]() タイトル: Inhibitor Binding Induces Active Site Stabilisation of the Hcv Ns3 Protein Serine Protease Domain 著者: Barbato, G. / Cicero, D.O. / Cordier, F. / Narjes, F. / Gerlach, B. / Sambucini, S. / Grzesiek, S. / Matassa, V.G. / Defrancesco, R. / Bazzo, R. #1: ![]() タイトル: The Solution Structure of the N-Terminal Serine Protease Domain of the Hepatitis C Virus Ns3 Protein Provides New Insights Into its Activation and Catalytic Mechanism 著者: Barbato, G. / Cicero, D.O. / Nardi, M.C. / Steinkuhler, C. / Cortese, R. / Defrancesco, R. / Bazzo, R. #2: ジャーナル: J.Mol.Biol. / 年: 1999 タイトル: Structural Characterization of the Interactions of Optimized Product Inhibitors with the N-Terminal Proteinase Domain of the Hepatitis C Virus (Hcv) Ns3 Protein by NMR and Modelling Studies 著者: Cicero, D.O. / Barbato, G. / Koch, U. / Ingallinella, P. / Bianchi, E. / Nardi, M.C. / Steinkuhler, C. / Cortese, R. / Matassa, V. / Defrancesco, R. / Pessi, A. / Bazzo, R. #3: ジャーナル: J.Biol.Chem. / 年: 1998 タイトル: The Metal Binding Site of the Hepatitis C Virus Ns3 Protease 著者: Urbani, A. / Bazzo, R. / Nardi, M.C. / Cicero, D.O. / Defrancesco, R. / Steinkuhler, C. / Barbato, G. | ||||||
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構造の表示
構造ビューア | 分子: ![]() ![]() |
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-検証レポート
文書・要旨 | ![]() | 493.6 KB | 表示 | ![]() |
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文書・詳細版 | ![]() | 695.2 KB | 表示 | |
XML形式データ | ![]() | 94 KB | 表示 | |
CIF形式データ | ![]() | 111.6 KB | 表示 | |
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-関連構造データ
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その他のデータベース |
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集合体
登録構造単位 | ![]()
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NMR アンサンブル |
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要素
#1: タンパク質 | 分子量: 19634.529 Da / 分子数: 1 / 断片: SEQUENCE DATABASE RESIDUES 1027-1206 / 由来タイプ: 組換発現 詳細: COVALENT BOND BETWEEN SER 139 OG AND ABK 190 C1 (DI-FLUORO-ABU-KETOACID) OF INHIBITOR 由来: (組換発現) ![]() ![]() ![]() |
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#2: 化合物 | ChemComp-2ZF / |
#3: 化合物 | ChemComp-ZN / |
配列の詳細 | 6 RESIDUES INSERTED AT THE C TERMINAL (ALA SER LYS LYS LYS LYS) |
-実験情報
-実験
実験 | 手法: 溶液NMR |
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NMR実験の詳細 | Text: THE STRUCTURE WAS DETERMINED USING TRIPLE RESONANCE EXPERIMENTS, 3D HETERONUCLEAR NOESY EXPERIMENTS, 3D AND 2D COUPLING CONSTANT MEASUREMENTS, 10% GLUCOSE C13 LABELLING FOR METHYL ...Text: THE STRUCTURE WAS DETERMINED USING TRIPLE RESONANCE EXPERIMENTS, 3D HETERONUCLEAR NOESY EXPERIMENTS, 3D AND 2D COUPLING CONSTANT MEASUREMENTS, 10% GLUCOSE C13 LABELLING FOR METHYL STEREOSPECIFIC ASSINGMENT, COMBINED USE OF SEVERAL COUPLING CONSTANTS AND ROESY SPECTROSCOPY TO DETERMINE CHI1 ANGLES. |
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試料調製
詳細 | 内容: 95% WATER/10 % D2O |
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試料状態 | pH: 6.6 / 圧: 1 atm / 温度: 298 K |
結晶化 | *PLUS 手法: other / 詳細: NMR |
-NMR測定
NMRスペクトロメーター |
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解析
NMR software |
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精密化 | 手法: simulated annealing / ソフトェア番号: 1 詳細: REFINEMENT DETAILS CAN BE FOUND IN THE JRNL CITATION ABOVE. RESIDUES OF NS3 1-21 ARE NOT INCLUDED IN THE MODELS SINCE THEY ARE AFFECTED BY MOBILITY IN SOLUTION. | ||||||||||||
NMRアンサンブル | コンフォーマー選択の基準: LEAST RESTRAINT VIOLATION 計算したコンフォーマーの数: 100 / 登録したコンフォーマーの数: 20 |