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基本情報
登録情報 | データベース: PDB / ID: 1zg2 | ||||||
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タイトル | Solution NMR structure of the UPF0213 protein BH0048 from Bacillus halodurans. Northeast Structural Genomics target BhR2. | ||||||
![]() | Hypothetical UPF0213 protein BH0048 | ||||||
![]() | STRUCTURAL GENOMICS / UNKNOWN FUNCTION / BhR2 / Autostructure / Northeast Structural Genomics Consortium / PSI / Protein Structure Initiative / NESG | ||||||
機能・相同性 | GIY-YIG endonuclease / GIY-YIG endonuclease / GIY-YIG endonuclease / GIY-YIG catalytic domain / GIY-YIG domain profile. / GIY-YIG endonuclease superfamily / 3-Layer(aba) Sandwich / Alpha Beta / UPF0213 protein BH0048![]() | ||||||
生物種 | ![]() | ||||||
手法 | 溶液NMR / simulated annealing | ||||||
![]() | Aramini, J.M. / Swapna, G.V.T. / Xiao, R. / Ma, L. / Shastry, R. / Ciano, M. / Acton, T.B. / Liu, J. / Rost, B. / Cort, J.R. ...Aramini, J.M. / Swapna, G.V.T. / Xiao, R. / Ma, L. / Shastry, R. / Ciano, M. / Acton, T.B. / Liu, J. / Rost, B. / Cort, J.R. / Kennedy, M.A. / Montelione, G.T. / Northeast Structural Genomics Consortium (NESG) | ||||||
![]() | ![]() タイトル: Solution NMR structure of the UPF0213 protein BH0048 from Bacillus halodurans. Northeast Structural Genomics target BhR2. 著者: Aramini, J.M. / Swapna, G.V.T. / Xiao, R. / Ma, L. / Shastry, R. / Ciano, M. / Acton, T.B. / Liu, J. / Rost, B. / Cort, J.R. / Kennedy, M.A. / Montelione, G.T. | ||||||
履歴 |
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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
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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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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: 12556.251 Da / 分子数: 1 / 由来タイプ: 組換発現 由来: (組換発現) ![]() プラスミド: BhR2-21 / 発現宿主: ![]() ![]() |
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-実験情報
-実験
実験 | 手法: 溶液NMR | ||||||||||||||||||||||||||||
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NMR実験 |
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NMR実験の詳細 | Text: The structure was determined using triple resonance NMR spectroscopy. Partial automated backbone assignments were made using AUTOASSIGN, and the assignments were completed manually. Automatic ...Text: The structure was determined using triple resonance NMR spectroscopy. Partial automated backbone assignments were made using AUTOASSIGN, and the assignments were completed manually. Automatic NOESY assignments as well as distance and hydrogen bond constraints were determined using AUTOSTRUCTURE. Dihedral angle constraints were determined using HYPER and Talos. Completeness of NMR assignments (excluding N- and C-tags): backbone, 98%; side chain, 86%, aromatics, 100%; stereospecific methyl, 100%. Final structure quality factors (excluding the tags), where ordered residues [S(PHI) + S(PSI) > 1.8] comprise 7-16,19-25,27-38,51-85: (A) RMSD (6-30,48-86): BB 1.0; heavy atom, 1.6. FindCore RMSD: BB, 0.63; heavy atom, 0.86. (B) Ramachandran statistics for ordered residues: most favored, 96.7%, additionally allowed, 3.3%, generously allowed, 0.0%, disallowed, 0.0%. (C) Procheck scores for ordered residues (Raw/Z-): Phi-Psi, 0.02/0.39; All, -0.10/-0.59. (D) MolProbity clash score (Raw/Z-): 24.24/-2.63. (E) RPF scores for goodness of fit to NOESY data: F-measure, 0.916; Recall, 0.922; Precision, 0.910; DP-score, 0.663. |
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試料調製
詳細 |
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試料状態 | イオン強度: 100 mM NaCl / pH: 6.5 / 圧: ambient / 温度: 293 K |
-NMR測定
放射 | プロトコル: SINGLE WAVELENGTH / 単色(M)・ラウエ(L): M | |||||||||||||||||||||||||
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放射波長 | 相対比: 1 | |||||||||||||||||||||||||
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: The structures are based on a total of 835 conformationally-restricting NOE-derived distance constraints, 250 dihedral angle constraints, and 52 hydrogen bond constraints (12.2 constraints ...詳細: The structures are based on a total of 835 conformationally-restricting NOE-derived distance constraints, 250 dihedral angle constraints, and 52 hydrogen bond constraints (12.2 constraints per residue excluding tags; 2.9 long range constraints per residue). Structure determination was performed iteratively using AUTOSTRUCTURE (Xplor). The 10 lowest energy structures were further refined by restrained molecular dyanmics/energy minimization in explicit water (CNS). The unstructured N- (MAGDP) and C- (LEHHHHHH) terminal tags were included in all calculations but have been omitted from this deposition. | ||||||||||||||||||||||||||||||||||||||||||||||||
代表構造 | 選択基準: lowest energy | ||||||||||||||||||||||||||||||||||||||||||||||||
NMRアンサンブル | コンフォーマー選択の基準: structures with the lowest energy 計算したコンフォーマーの数: 56 / 登録したコンフォーマーの数: 10 |