- PDB-1ss3: Solution structure of Ole e 6, an allergen from olive tree pollen -
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基本情報
登録情報
データベース: PDB / ID: 1ss3
タイトル
Solution structure of Ole e 6, an allergen from olive tree pollen
要素
Pollen allergen Ole e 6
キーワード
ALLERGEN / alpha-helix protein
機能・相同性
Pollen allergen ole e 6 / Pollen allergen ole e 6 / Pollen allergen ole e 6 superfamily / Pollen allergen Ole e 6 / IgG binding / Helix Hairpins / Orthogonal Bundle / Mainly Alpha / Major pollen allergen Ole e 6
Text: These structures were determined using standard 2D-NOE homonuclear techniques and 3D-NOE heteronuclear techniques
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試料調製
詳細
Solution-ID
内容
溶媒系
1
0.6mMolee6; 95% H2O, 5% D2O
95% H2O/5% D2O
2
0.6mMolee6; 100% D2O
100% D2O
3
1mM ole e 6 U-15N; 95% H2O, 5% D2O
95% H2O/5% D2O
試料状態
イオン強度: null / pH: 6.0 / 圧: ambient / 温度: 308 K
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NMR測定
放射
プロトコル: SINGLE WAVELENGTH / 単色(M)・ラウエ(L): M
放射波長
相対比: 1
NMRスペクトロメーター
タイプ: Bruker AVANCE / 製造業者: Bruker / モデル: AVANCE / 磁場強度: 600 MHz
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解析
NMR software
名称
バージョン
分類
XwinNMR
3.1
collection
XwinNMR
3.1
解析
ANSIG
3.3
データ解析
DYANA
1.5
構造決定
DYANA
1.5
精密化
Amber
7
精密化
精密化
手法: simulated annealing, torsion angle dynamics / ソフトェア番号: 1 詳細: the structures are based on a total of 1428 unambigous NOEs, which leads to 900 upper limit distances. 486 relevant distance restraints, and 24 angle constraints were used. The best ...詳細: the structures are based on a total of 1428 unambigous NOEs, which leads to 900 upper limit distances. 486 relevant distance restraints, and 24 angle constraints were used. The best conformers were energy-minimized with AMBER7
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: 25