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基本情報
登録情報 | データベース: PDB / ID: 1qa5 | ||||||
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タイトル | MYRISTOYLATED HIV-1 NEF ANCHOR DOMAIN, NMR, 2 STRUCTURES | ||||||
![]() | PROTEIN (MYRISTOYLATED HIV-1 NEF ANCHOR DOMAIN (MYRISTATE-GLY2 TO TRP57)) | ||||||
![]() | VIRAL PROTEIN / HIV / AIDS / REGULATORY FACTOR / NEGATIVE FACTOR / NEF / MYRISTOYLATION | ||||||
機能・相同性 | ![]() perturbation by virus of host immune response / negative regulation of CD4 production / symbiont-mediated suppression of host antigen processing and presentation of peptide antigen via MHC class I / symbiont-mediated suppression of host apoptosis / symbiont-mediated suppression of host antigen processing and presentation of peptide antigen via MHC class II / suppression by virus of host autophagy / CD4 receptor binding / thioesterase binding / host cell Golgi membrane / MHC class I protein binding ...perturbation by virus of host immune response / negative regulation of CD4 production / symbiont-mediated suppression of host antigen processing and presentation of peptide antigen via MHC class I / symbiont-mediated suppression of host apoptosis / symbiont-mediated suppression of host antigen processing and presentation of peptide antigen via MHC class II / suppression by virus of host autophagy / CD4 receptor binding / thioesterase binding / host cell Golgi membrane / MHC class I protein binding / regulation of calcium-mediated signaling / viral life cycle / virion component / SH3 domain binding / ATPase binding / signaling receptor binding / GTP binding / protein kinase binding / host cell plasma membrane / extracellular region / membrane 類似検索 - 分子機能 | ||||||
生物種 | ![]() ![]() | ||||||
手法 | 溶液NMR / DISTANCE GEOMETRY, SIMULATED ANNEALING | ||||||
![]() | Geyer, M. / Kalbitzer, H.R. | ||||||
![]() | ![]() タイトル: Structure of the anchor-domain of myristoylated and non-myristoylated HIV-1 Nef protein. 著者: Geyer, M. / Munte, C.E. / Schorr, J. / Kellner, R. / Kalbitzer, H.R. #1: ![]() タイトル: Refined solution structure and backbone dynamics of HIV-1 Nef. 著者: Grzesiek, S. / Bax, A. / Hu, J.S. / Kaufman, J. / Palmer, I. / Stahl, S.J. / Tjandra, N. / Wingfield, P.T. #2: ![]() タイトル: Solution structure of a polypeptide from the N terminus of the HIV protein Nef. 著者: Barnham, K.J. / Monks, S.A. / Hinds, M.G. / Azad, A.A. / Norton, R.S. #3: ![]() タイトル: The crystal structure of HIV-1 Nef protein bound to the Fyn kinase SH3 domain suggests a role for this complex in altered T cell receptor signaling. 著者: Arold, S. / Franken, P. / Strub, M.P. / Hoh, F. / Benichou, S. / Benarous, R. / Dumas, C. #4: ![]() タイトル: Crystal structure of the conserved core of HIV-1 Nef complexed with a Src family SH3 domain. 著者: Lee, C.H. / Saksela, K. / Mirza, U.A. / Chait, B.T. / Kuriyan, J. #5: ジャーナル: Nat.Struct.Biol. / 年: 1996 タイトル: The solution structure of HIV-1 Nef reveals an unexpected fold and permits delineation of the binding surface for the SH3 domain of Hck tyrosine protein kinase. 著者: Grzesiek, S. / Bax, A. / Clore, G.M. / Gronenborn, A.M. / Hu, J.S. / Kaufman, J. / Palmer, I. / Stahl, S.J. / Wingfield, P.T. #6: ジャーナル: Eur.J.Biochem. / 年: 1994 タイトル: A possible regulation of negative factor (Nef) activity of human immunodeficiency virus type 1 by the viral protease. 著者: Freund, J. / Kellner, R. / Konvalinka, J. / Wolber, V. / Krausslich, H.G. / Kalbitzer, H.R. | ||||||
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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 | ![]() | 249.3 KB | 表示 | ![]() |
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文書・詳細版 | ![]() | 250.2 KB | 表示 | |
XML形式データ | ![]() | 3.4 KB | 表示 | |
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-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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NMR アンサンブル |
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要素
#1: タンパク質 | 分子量: 6027.812 Da / 分子数: 1 / 由来タイプ: 合成 由来: (合成) ![]() ![]() ![]() |
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-実験情報
-実験
実験 | 手法: 溶液NMR |
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NMR実験 | タイプ: 1H |
NMR実験の詳細 | Text: THE COORDINATES OF 2 SIMULATED ANNEALING STRUCTURES ARE PRESENTED IN THIS ENTRY. THE STRUCTURE OF THE MYRISTOYLATED HIV-1 NEF ANCHOR DOMAIN IS HIGHLY FLEXIBLE AND NOT WELL DEFINED BY NMR ...Text: THE COORDINATES OF 2 SIMULATED ANNEALING STRUCTURES ARE PRESENTED IN THIS ENTRY. THE STRUCTURE OF THE MYRISTOYLATED HIV-1 NEF ANCHOR DOMAIN IS HIGHLY FLEXIBLE AND NOT WELL DEFINED BY NMR RESTRAINTS. ONLY TWO SECONDARY STRUCTURE ELEMENTS CAN BE OBSERVED: A FIRST HELIX IN THE POSITIVE CLUSTER REGION FROM PRO14 TO ARG22 AND A SECOND HELICAL REGION FROM ALA33 TO GLY41. ADDITIONALLY, THE N-TERMINAL MYRISTIC ACID RESIDUE CLOSELY INTERACTS WITH THE SIDE CHAIN OF TRP5 AND THEREBY FORMS A LOOP WITH GLY2, GLY3 AND LYS4 IN THE KINK REGION. TWO MODELS ARE PRESENTED TO DEMONSTRATE THE CONFORMATIONAL VARIETY OF THE STRUCTURES CALCULATED. |
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試料調製
試料状態 | pH: 4.6 / 温度: 285 K |
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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: DISTANCE GEOMETRY, SIMULATED ANNEALING / ソフトェア番号: 1 詳細: THE STRUCTURES WERE CALCULATED WITH X-PLOR, V. 3.851 (BRUNGER, 1992) USING A DISTANCE GEOMETRY/SIMULATED ANNEALING PROTOCOL (NILGES ET AL., FEBS LETT. 229, 317 (1988)). THE 3D STRUCTURE OF ...詳細: THE STRUCTURES WERE CALCULATED WITH X-PLOR, V. 3.851 (BRUNGER, 1992) USING A DISTANCE GEOMETRY/SIMULATED ANNEALING PROTOCOL (NILGES ET AL., FEBS LETT. 229, 317 (1988)). THE 3D STRUCTURE OF MYRISTOYLATED HIV-1 NEF ANCHOR DOMAIN (MYR-2-57) SOLVED BY TWO-DIMENSIONAL HOMONUCLEAR NMR SPECTROSCOPY IS BASED ON 540 EXPERIMENTAL RESTRAINTS: 332 INTRARESIDUAL, 156 SEQUENTIAL AND MEDIUM RANGE (1<=|I-J|<=4), AND 10 LONG RANGE (|I-J|>=5) INTERPROTON DISTANCE RESTRAINTS; 42 TORSION ANGLE RESTRAINTS (PHI). NO RESTRAINTS FOR HYDROGEN BONDS WERE ADDED. | ||||||||||||||||
NMRアンサンブル | コンフォーマー選択の基準: TWO STRUCTURES WITH LOW TOTAL ENERGY WERE SELECTED SHOWING THE CONFORMATIONAL VARIETY OF THE FLEXIBLE DOMAIN 計算したコンフォーマーの数: 400 / 登録したコンフォーマーの数: 2 |