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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: 1jbf | ||||||
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タイトル | Hairpin Peptide that Inhibits IgE Activity by Binding to the High Affinity IgE Receptor | ||||||
![]() | IGE06 | ||||||
![]() | PROTEIN BINDING / beta-hairpin / type I turn | ||||||
手法 | 溶液NMR / Hybrid distance geometry, simulated annealing, restrained molecular dynamics. | ||||||
![]() | Nakamura, G.R. / Starovasnik, M.A. / Reynolds, M.E. / Lowman, H.B. | ||||||
![]() | ![]() タイトル: A novel family of hairpin peptides that inhibit IgE activity by binding to the high-affinity IgE receptor. 著者: Nakamura, G.R. / Starovasnik, M.A. / Reynolds, M.E. / Lowman, H.B. | ||||||
履歴 |
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構造の表示
構造ビューア | 分子: ![]() ![]() |
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ダウンロードとリンク
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ダウンロード
PDBx/mmCIF形式 | ![]() | 84.1 KB | 表示 | ![]() |
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PDB形式 | ![]() | 63.1 KB | 表示 | ![]() |
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その他 | ![]() |
-検証レポート
文書・要旨 | ![]() | 328.2 KB | 表示 | ![]() |
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文書・詳細版 | ![]() | 369 KB | 表示 | |
XML形式データ | ![]() | 5.8 KB | 表示 | |
CIF形式データ | ![]() | 9.1 KB | 表示 | |
アーカイブディレクトリ | ![]() ![]() | HTTPS FTP |
-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・ペプチド | 分子量: 1776.090 Da / 分子数: 1 / 由来タイプ: 合成 詳細: This peptide was chemically synthesized. It was based on naive phage-peptide library sorted for binding IgE receptor |
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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: 3JHNHa were obtained by fitting Lorentzian lines to the antiphase doublets of HN-Ha peaks in a 2QF-COSY spectrum processed to high digital resolution in F2. 3JHNHa for Gly8 and Gly11 were ...Text: 3JHNHa were obtained by fitting Lorentzian lines to the antiphase doublets of HN-Ha peaks in a 2QF-COSY spectrum processed to high digital resolution in F2. 3JHNHa for Gly8 and Gly11 were obtained from analysis of the COSY-35 spectrum acquired in H2O. 3JHaHb were extracted from a COSY-35 spectrum acquired in D2O. |
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試料調製
詳細 |
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試料状態 | イオン強度: no salt / pH: 5.7 / 圧: ambient / 温度: 288 K | |||||||||
結晶化 | *PLUS 手法: other / 詳細: NMR |
-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 | タイプ: Bruker AMX / 製造業者: Bruker / モデル: AMX / 磁場強度: 500 MHz |
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解析
NMR software |
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精密化 | 手法: Hybrid distance geometry, simulated annealing, restrained molecular dynamics. ソフトェア番号: 1 詳細: Structures were calculated based on a total of 109 distance and 16 dihedral angle restraints. The final ensemble of 20 models has no distance or dihedral angle restraint violations greater ...詳細: Structures were calculated based on a total of 109 distance and 16 dihedral angle restraints. The final ensemble of 20 models has no distance or dihedral angle restraint violations greater than 0.1 angstrom or 2 degrees, respectively. | ||||||||||||||||||||
代表構造 | 選択基準: closest to the average | ||||||||||||||||||||
NMRアンサンブル | コンフォーマー選択の基準: structures with acceptable covalent geometry,structures with the least restraint violations 計算したコンフォーマーの数: 50 / 登録したコンフォーマーの数: 20 |