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データを開く
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基本情報
登録情報 | データベース: PDB / ID: 2da8 | ||||||
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タイトル | SOLUTION STRUCTURE OF A COMPLEX BETWEEN (N-MECYS3,N-MECYS7)TANDEM AND (D(GATATC))2 | ||||||
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![]() | DNA/ANTIBIOTIC / BISINTERCALATOR / DEPSIPEPTIDE / QUINOXALINE / ANTIBIOTIC / ANTITUMOR / DNA-ANTIBIOTIC COMPLEX | ||||||
機能・相同性 | 2-CARBOXYQUINOXALINE / : / DNA![]() | ||||||
生物種 | ![]() | ||||||
手法 | 溶液NMR / ENERGY MINIMIZATION, RESTRAINED MOLECULAR DYNAMICS, NOE BASED RELAXATION REFINEMENT | ||||||
![]() | Addess, K.J. / Sinsheimer, J.S. / Feigon, J. | ||||||
![]() | ![]() タイトル: Solution Structure of a Complex between [N-Mecys3,N-Mecys7]Tandem and [D(Gatatc)]2. 著者: Addess, K.J. / Sinsheimer, J.S. / Feigon, J. | ||||||
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
文書・要旨 | ![]() | 391.4 KB | 表示 | ![]() |
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文書・詳細版 | ![]() | 469.8 KB | 表示 | |
XML形式データ | ![]() | 8.7 KB | 表示 | |
CIF形式データ | ![]() | 11.8 KB | 表示 | |
アーカイブディレクトリ | ![]() ![]() | HTTPS FTP |
-関連構造データ
関連構造データ | |
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類似構造データ |
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リンク
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集合体
登録構造単位 | ![]()
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Atom site foot note | 1: RESIDUES SER A 1 AND SER B 1 ARE D-AMINO ACIDS. 2: ALA A 2 - CYS A 3 MODEL 1 OMEGA = 0.00 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION 3: ALA B 2 - CYS B 3 MODEL 1 OMEGA = 0.00 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION 4: ALA A 2 - CYS A 3 MODEL 2 OMEGA = 0.02 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION 5: ALA A 2 - CYS A 3 MODEL 3 OMEGA = 0.00 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION 6: ALA B 2 - CYS B 3 MODEL 3 OMEGA = 0.00 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION 7: ALA A 2 - CYS A 3 MODEL 4 OMEGA =359.98 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION 8: ALA B 2 - CYS B 3 MODEL 4 OMEGA = 0.00 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION 9: ALA A 2 - CYS A 3 MODEL 5 OMEGA = 0.00 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION 10: ALA B 2 - CYS B 3 MODEL 5 OMEGA = 0.00 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION 11: ALA A 2 - CYS A 3 MODEL 6 OMEGA = 0.02 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION 12: ALA A 2 - CYS A 3 MODEL 7 OMEGA = 0.00 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION 13: ALA A 2 - CYS A 3 MODEL 8 OMEGA = 0.00 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION | |||||||||
NMR アンサンブル |
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要素
#1: タンパク質・ペプチド | 分子量: 766.928 Da / 分子数: 1 / 変異: YES / 由来タイプ: 合成 / 詳細: VALINE AT POSITIONS 4 AND 8 / 由来: (合成) ![]() | ||
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#2: DNA鎖 | 分子量: 1808.229 Da / 分子数: 2 / 由来タイプ: 合成 #3: 化合物 | |
-実験情報
-実験
実験 | 手法: 溶液NMR |
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NMR実験の詳細 | Text: FOR DISTANCE GEOMETRY, FULL STRUCTURE EMBEDS WERE DONE USING THE PROGRAM DSPACE (HARE RESEARCH, INC.) AND SUBSTRUCTURE EMBEDS WERE DONE USING X-PLOR (A. T. BRUNGER, YALE UNIVERSITY). ALL ...Text: FOR DISTANCE GEOMETRY, FULL STRUCTURE EMBEDS WERE DONE USING THE PROGRAM DSPACE (HARE RESEARCH, INC.) AND SUBSTRUCTURE EMBEDS WERE DONE USING X-PLOR (A. T. BRUNGER, YALE UNIVERSITY). ALL REFINEMENT STEPS WERE DONE USING X-PLOR. |
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解析
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精密化 | 手法: ENERGY MINIMIZATION, RESTRAINED MOLECULAR DYNAMICS, NOE BASED RELAXATION REFINEMENT ソフトェア番号: 1 詳細: EIGHT STRUCTURES WERE GENERATED BY DISTANCE GEOMETRY. TWO DIMENSIONAL DERIVED NOE AND DIHEDRAL BOND ANGLE CONSTRAINTS WERE USED THROUGHOUT ALL STAGES OF THE STRUCTURE CALCULATIONS. AVERAGE R ...詳細: EIGHT STRUCTURES WERE GENERATED BY DISTANCE GEOMETRY. TWO DIMENSIONAL DERIVED NOE AND DIHEDRAL BOND ANGLE CONSTRAINTS WERE USED THROUGHOUT ALL STAGES OF THE STRUCTURE CALCULATIONS. AVERAGE R VALUE FOR 8 STRUCTURES 0.21 | |||||||||
NMRアンサンブル | コンフォーマー選択の基準: all calculated structures submitted 計算したコンフォーマーの数: 8 / 登録したコンフォーマーの数: 8 | |||||||||
NMR ensemble rms | Atom type: all heavy atoms / Distance rms dev: 1.1 Å |