+データを開く
-基本情報
登録情報 | データベース: PDB / ID: 2i1t | ||||||
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タイトル | Solution structure of Jingzhaotoxin-III, a novel toxin inhibiting both Nav and Kv channels | ||||||
要素 | Jingzhaotoxin-3 | ||||||
キーワード | TOXIN (毒素) / Jingzhaotoxin-III / Kv2.1 channel / Nav channel / cardiac myocytes / solution structure | ||||||
機能・相同性 | Huwentoxin-1 family / Ion channel inhibitory toxin / ion channel inhibitor activity / : / toxin activity / extracellular region / Beta/kappa-theraphotoxin-Cg1a 機能・相同性情報 | ||||||
生物種 | Chilobrachys jingzhao (クモ) | ||||||
手法 | 溶液NMR / distance geometry, simulated annealing | ||||||
データ登録者 | Liao, Z. / Peng, K. / Liang, S. | ||||||
引用 | ジャーナル: To be Published タイトル: Solution structure of Jingzhaotoxin-III, a novel toxin inhibiting both Nav and Kv channels 著者: Liao, Z. / Peng, K. / Liang, S. | ||||||
履歴 |
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-構造の表示
構造ビューア | 分子: MolmilJmol/JSmol |
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-ダウンロードとリンク
-ダウンロード
PDBx/mmCIF形式 | 2i1t.cif.gz | 200.5 KB | 表示 | PDBx/mmCIF形式 |
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PDB形式 | pdb2i1t.ent.gz | 173.4 KB | 表示 | PDB形式 |
PDBx/mmJSON形式 | 2i1t.json.gz | ツリー表示 | PDBx/mmJSON形式 | |
その他 | その他のダウンロード |
-検証レポート
アーカイブディレクトリ | https://data.pdbj.org/pub/pdb/validation_reports/i1/2i1t ftp://data.pdbj.org/pub/pdb/validation_reports/i1/2i1t | HTTPS FTP |
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-関連構造データ
-リンク
-集合体
登録構造単位 |
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1 |
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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: 3930.539 Da / 分子数: 1 / 由来タイプ: 天然 / 由来: (天然) Chilobrachys jingzhao (クモ) / Secretion: venom / 参照: UniProt: P62520 |
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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: TOCSY spectra were obtained with a mixing time of 85 ms. NOESY spectra were recorded in D2O with a mixing time of 200 ms and in H2O with mixing times of 100, 200, and 400 ms. All two- ...Text: TOCSY spectra were obtained with a mixing time of 85 ms. NOESY spectra were recorded in D2O with a mixing time of 200 ms and in H2O with mixing times of 100, 200, and 400 ms. All two-dimensional measurements were recorded with 1024-512 frequency data points and were zero-filled to yield 2048-1024 data matrices except for the high resolution DQF-COSY spectrum. The DQF-COSY spectrum was recorded with 2048-1024 data points in the t2 and t1 dimensions, respectively, and zero-filled to 4096 - 2048 points to measure the coupling constants. |
-試料調製
詳細 | 内容: 6mM Jingzhaotoxin-III, 20mM deuterium sodium acetate buffer, 0.002% NaN3, 0.01mM EDTA, 0.2mM Sodium 3-(trimethylsilyl) propionate-2,2,3,3-d4, pH 4.0, 90% H2O, 10% D2O 溶媒系: 90% H2O/10% D2O |
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試料状態 | イオン強度: 20mM / pH: 4.0 / 圧: ambient / 温度: 303 K |
-NMR測定
NMRスペクトロメーター | タイプ: Bruker DRX / 製造業者: Bruker / モデル: DRX / 磁場強度: 500 MHz |
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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: Structural calculations were performed on 395 interproton distance constraints derived from the 2D NOESY spectra, 13 dihedral angle constraints derived from the coupling constant (DQF-COSY) ...詳細: Structural calculations were performed on 395 interproton distance constraints derived from the 2D NOESY spectra, 13 dihedral angle constraints derived from the coupling constant (DQF-COSY) and NOE measurements, eight hydrogen-bond restraints derived from the hydrogen-deuterium exchange experiments, and nine disulfide bond restraints, giving a total of 425 restraints. | ||||||||||||
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: 100 / 登録したコンフォーマーの数: 20 |