+データを開く
-基本情報
登録情報 | データベース: PDB / ID: 2oqp | ||||||
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タイトル | Solution structure of human interleukin-21 | ||||||
要素 | Interleukin-21インターロイキン | ||||||
キーワード | CYTOKINE (サイトカイン) / FOUR HELIX BUNDLE / MULTIPLE CONFORMERS | ||||||
機能・相同性 | 機能・相同性情報 T follicular helper cell differentiation / interleukin-2 receptor binding / germinal center B cell differentiation / positive regulation of tissue remodeling / Interleukin-21 signaling / cytokine receptor binding / positive regulation of natural killer cell mediated cytotoxicity / tyrosine phosphorylation of STAT protein / positive regulation of immunoglobulin production / positive regulation of interleukin-17 production ...T follicular helper cell differentiation / interleukin-2 receptor binding / germinal center B cell differentiation / positive regulation of tissue remodeling / Interleukin-21 signaling / cytokine receptor binding / positive regulation of natural killer cell mediated cytotoxicity / tyrosine phosphorylation of STAT protein / positive regulation of immunoglobulin production / positive regulation of interleukin-17 production / positive regulation of T cell proliferation / positive regulation of B cell proliferation / cell maturation / positive regulation of tyrosine phosphorylation of STAT protein / positive regulation of cytokine production / cytokine activity / cellular response to virus / positive regulation of inflammatory response / positive regulation of type II interferon production / defense response to virus / positive regulation of cell population proliferation / シグナル伝達 / extracellular space / extracellular region 類似検索 - 分子機能 | ||||||
生物種 | Homo sapiens (ヒト) | ||||||
手法 | 溶液NMR / simulated annealing | ||||||
データ登録者 | Bondensgaard, K. / Breinholt, J. | ||||||
引用 | ジャーナル: J.Biol.Chem. / 年: 2007 タイトル: The existence of multiple conformers of interleukin-21 directs engineering of a superpotent analogue. 著者: Bondensgaard, K. / Breinholt, J. / Madsen, D. / Omkvist, D.H. / Kang, L. / Worsaae, A. / Becker, P. / Schiodt, C.B. / Hjorth, S.A. | ||||||
履歴 |
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Remark 650 | HELIX DETERMINATION METHOD: AUTHOR DETERMINED |
-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 | 2oqp.cif.gz | 849.7 KB | 表示 | PDBx/mmCIF形式 |
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PDB形式 | pdb2oqp.ent.gz | 708 KB | 表示 | PDB形式 |
PDBx/mmJSON形式 | 2oqp.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/oq/2oqp ftp://data.pdbj.org/pub/pdb/validation_reports/oq/2oqp | 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 | 分子量: 15622.893 Da / 分子数: 1 / 由来タイプ: 組換発現 / 由来: (組換発現) Homo sapiens (ヒト) / 遺伝子: IL21 / プラスミド: pTAP337 / 生物種 (発現宿主): Escherichia coli 発現宿主: Escherichia coli str. K12 substr. W3110 (大腸菌) 株 (発現宿主): W3110 / 参照: UniProt: Q9HBE4 |
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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: The structure was determined using triple-resonance NMR spectroscopy. |
-試料調製
詳細 |
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試料状態 | イオン強度: 50mM NaCl / pH: 5.5 / 圧: ambient / 温度: 300 K |
-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 |
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-解析
NMR software |
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精密化 | 手法: simulated annealing / ソフトェア番号: 1 詳細: A total of 1235, 2994 and 449 peaks from 15N-separated, 13C-separated NOESY and 2D NOESY spectra, respectively, were included in structure calculations. Together with chemical shifts for the ...詳細: A total of 1235, 2994 and 449 peaks from 15N-separated, 13C-separated NOESY and 2D NOESY spectra, respectively, were included in structure calculations. Together with chemical shifts for the assigned resonances, the NOEs were analyzed with Cyana using the candid protocol for automatic NOE assignment and structure calculation. Additional sources of structural information were included in the calculations. Thus two disulfide bonds were enforced between Cys43 and Cys94, and between Cys50 and Cys97. This disulfide pattern has been established for the hIL-21 molecule through an analysis which combined protease cleavage, Edman degradation, and MS. Test calculations without disulfide bond constraints supported this pattern. Chemical shift values for HA, CA, CB, N and CO atoms were analyzed to predict phi and psi backbone angles using the computer program Talos. Talos gave good predictions for 78 residues, and 156 angle phi/psi angle constraints were included in the calculations with an uncertainty of 30 degrees. From the HNHA spectrum 72 J(HA-HN) scalar coupling constants were extracted and included in the structure calculations. Hydrogen bond constraints were added for 20 backbone amide protons which exchange slowly in deuterium exchange experiments. Hydrogen bond patterns were identified based on structures calculated without hydrogen bond constraints. | ||||||||||||||||||||||||
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: 64 / 登録したコンフォーマーの数: 20 |