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基本情報
登録情報 | データベース: PDB / ID: 1g80 | ||||||||||||||||||
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タイトル | NMR SOLUTION STRUCTURE OF D(GCGTACGC)2 | ||||||||||||||||||
![]() | 5'-D(*![]() DNA / PSORALEN / HMT / C13 DYNAMICS / CONFORMATIONAL EXCHANGE / PHOSPHATE CONFORMATION / DEOXYRIBOSE CONFORMATION / HELICAL PARAMETER / ORDER PARAMETER | 機能・相同性 | DNA | ![]() 手法 | 溶液NMR / The RANDMARDI procedure of the complete relaxation matrix analysis method, MARDIGRAS, was used to calculate interproton distance bounds from the integrated NOESY cross-peak intensities. These distance bounds were then used as restraints in an RMD procedure to yield 20 structures. | ![]() Isaacs, R.J. / Spielmann, H.P. | ![]() ![]() タイトル: Relationship of DNA structure to internal dynamics: correlation of helical parameters from NOE-based NMR solution structures of d(GCGTACGC)(2) and d(CGCTAGCG)(2) with (13)C order ...タイトル: Relationship of DNA structure to internal dynamics: correlation of helical parameters from NOE-based NMR solution structures of d(GCGTACGC)(2) and d(CGCTAGCG)(2) with (13)C order parameters implies conformational coupling in dinucleotide units. 著者: Isaacs, R.J. / Spielmann, H.P. #1: ![]() タイトル: Dynamics in Psoralen-Damaged DNA by 1H-Detected Natural Abundance 13C NMR Spectroscopy 著者: Spielmann, H.P. #2: ![]() タイトル: Solution structures of psoralen monoadducted and cross-linked DNA oligomers by NMR spectroscopy and restrained molecular dynamics. 著者: Spielmann, H.P. / Dwyer, T.J. / Hearst, J.E. / Wemmer, D.E. 履歴 |
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構造ビューア | 分子: ![]() ![]() |
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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: DNA鎖 | 分子量: 2427.605 Da / 分子数: 2 / 由来タイプ: 合成 / 詳細: phosphoramadites on solid support |
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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: 2D NOESY |
NMR実験の詳細 | Text: This structure was determined using standard 2D homonuclear techniques. |
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試料調製
詳細 | 内容: 4 mM DNA duplex / 溶媒系: 99.9% D2O |
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試料状態 | イオン強度: NaCl(100mM), PO4-(20mM), NaN3(10mM), EDTA(0.1mM) pH: 7.0 / 圧: ambient / 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 | タイプ: Varian INOVA / 製造業者: Varian / モデル: INOVA / 磁場強度: 500 MHz |
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解析
NMR software |
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精密化 | 手法: The RANDMARDI procedure of the complete relaxation matrix analysis method, MARDIGRAS, was used to calculate interproton distance bounds from the integrated NOESY cross-peak intensities. These ...手法: The RANDMARDI procedure of the complete relaxation matrix analysis method, MARDIGRAS, was used to calculate interproton distance bounds from the integrated NOESY cross-peak intensities. These distance bounds were then used as restraints in an RMD procedure to yield 20 structures. ソフトェア番号: 1 詳細: The structures are based on a total of 524 restraints, 502 are NOE-derived distance constraints and 22 distance restraints from hydrogen bonds. | ||||||||||||||||||||||||
代表構造 | 選択基準: lowest pairwise rmsd from other conformers | ||||||||||||||||||||||||
NMRアンサンブル | コンフォーマー選択の基準: back calculated data agree with experimental NOESY spectrum 計算したコンフォーマーの数: 20 / 登録したコンフォーマーの数: 20 |