+データを開く
-基本情報
登録情報 | データベース: PDB / ID: 2lru | ||||||
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タイトル | Solution Structure of the WNK1 Autoinhibitory Domain | ||||||
要素 | Serine/threonine-protein kinase WNK1 | ||||||
キーワード | TRANSFERASE (転移酵素) / autoinhibitory domain / PF2 domain | ||||||
機能・相同性 | 機能・相同性情報 negative regulation of cell-cell adhesion mediated by integrin / lymphocyte migration into lymph node / chemokine (C-C motif) ligand 21 signaling pathway / positive regulation of termination of RNA polymerase II transcription / monoatomic cation homeostasis / negative regulation of pancreatic juice secretion / protein insertion into ER membrane by stop-transfer membrane-anchor sequence / positive regulation of mitotic cytokinesis / negative regulation of sodium ion transport / monoatomic ion homeostasis ...negative regulation of cell-cell adhesion mediated by integrin / lymphocyte migration into lymph node / chemokine (C-C motif) ligand 21 signaling pathway / positive regulation of termination of RNA polymerase II transcription / monoatomic cation homeostasis / negative regulation of pancreatic juice secretion / protein insertion into ER membrane by stop-transfer membrane-anchor sequence / positive regulation of mitotic cytokinesis / negative regulation of sodium ion transport / monoatomic ion homeostasis / positive regulation of potassium ion import across plasma membrane / regulation of mRNA export from nucleus / regulation of sodium ion transmembrane transport / intracellular chloride ion homeostasis / non-membrane-bounded organelle assembly / negative regulation of heterotypic cell-cell adhesion / positive regulation of T cell chemotaxis / positive regulation of systemic arterial blood pressure / potassium channel inhibitor activity / potassium ion homeostasis / cellular hyperosmotic response / cellular response to chemokine / protein serine/threonine kinase inhibitor activity / negative regulation of leukocyte cell-cell adhesion / regulation of monoatomic cation transmembrane transport / cell volume homeostasis / negative regulation of protein localization to plasma membrane / protein kinase activator activity / intracellular non-membrane-bounded organelle / sodium ion transmembrane transport / GABA-ergic synapse / phosphatase binding / monoatomic ion transport / regulation of sodium ion transport / negative regulation of protein ubiquitination / cellular response to calcium ion / molecular condensate scaffold activity / negative regulation of autophagy / modulation of chemical synaptic transmission / 紡錘体 / 血圧 / positive regulation of canonical Wnt signaling pathway / positive regulation of angiogenesis / heart development / T cell receptor signaling pathway / non-specific serine/threonine protein kinase / protein kinase activity / intracellular signal transduction / protein phosphorylation / protein serine kinase activity / protein serine/threonine kinase activity / protein kinase binding / magnesium ion binding / シグナル伝達 / protein-containing complex / ATP binding / 生体膜 / 細胞核 / 細胞質基質 / 細胞質 類似検索 - 分子機能 | ||||||
生物種 | Rattus norvegicus (ドブネズミ) | ||||||
手法 | 溶液NMR / torsion angle dynamics, simulated annealing | ||||||
Model details | closest to the average, model 1 | ||||||
データ登録者 | Moon, T.M. / Correa, F. / Gardner, K.H. / Goldsmith, E.J. | ||||||
引用 | ジャーナル: J.Mol.Biol. / 年: 2013 タイトル: Solution Structure of the WNK1 Autoinhibitory Domain, a WNK-Specific PF2 Domain. 著者: Moon, T.M. / Correa, F. / Kinch, L.N. / Piala, A.T. / Gardner, K.H. / Goldsmith, E.J. | ||||||
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 | 2lru.cif.gz | 676.8 KB | 表示 | PDBx/mmCIF形式 |
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PDB形式 | pdb2lru.ent.gz | 577.7 KB | 表示 | PDB形式 |
PDBx/mmJSON形式 | 2lru.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/lr/2lru ftp://data.pdbj.org/pub/pdb/validation_reports/lr/2lru | HTTPS FTP |
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-関連構造データ
類似構造データ | |
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その他のデータベース |
-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 | 分子量: 11358.877 Da / 分子数: 1 / 断片: UNP residues 480-572 / 由来タイプ: 組換発現 / 由来: (組換発現) Rattus norvegicus (ドブネズミ) / 遺伝子: Wnk1, Hsn2, Prkwnk1 / 発現宿主: Escherichia coli (大腸菌) 参照: UniProt: Q9JIH7, non-specific serine/threonine protein kinase |
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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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-試料調製
詳細 | 内容: 0.65 mM [U-100% 13C; U-100% 15N] WNKAI, 90% H2O/10% D2O 溶媒系: 90% H2O/10% D2O |
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試料 | 濃度: 0.65 mM / 構成要素: WNKAI-1 / Isotopic labeling: [U-100% 13C; U-100% 15N] |
試料状態 | イオン強度: 0.010 / pH: 6.5 / 圧: ambient / 温度: 308 K |
-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: 800 MHz |
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-解析
NMR software |
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精密化 | 手法: torsion angle dynamics, simulated annealing / ソフトェア番号: 1 詳細: The authors state that two protons (TYR516 hydroxyl, CYS 547 backbone amide) are clashing in 1 model of the 20, and are close in 6/20. While we have not been able to directly assign the ...詳細: The authors state that two protons (TYR516 hydroxyl, CYS 547 backbone amide) are clashing in 1 model of the 20, and are close in 6/20. While we have not been able to directly assign the chemical shifts of that hydroxyl proton given the difficulties of exchange at this site, we believe that our existing NMR data are consistent with arrangement indicating a likely H-bond between the CYS 547 amide proton and TYR 516 hydroxyl oxygen. | |||||||||||||||
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 the lowest energy 計算したコンフォーマーの数: 500 / 登録したコンフォーマーの数: 20 |