溶液NMR / Using a motif-based approach, a model was constructed from X-ray, NMR structures of 6 known RNA motifs: (i) double helix, (ii) sheared G.A base pair, (iii) eukaryotic loop E motif, (iv) S-turn, (v) trans Wobble G.U pair, (vi) U-turn. The resulting energy minimized model was then validated by comparing it with the NOESY data.
structures with acceptable covalent geometry, structures with favorable non-bond energy
代表モデル
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要素
#1: RNA鎖
HEPATITISCVIRUSIRESDOMAINIIID
分子量: 8800.279 Da / 分子数: 1 / 由来タイプ: 合成 / 詳細: Transcribed using T7 RNA polymerase
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実験情報
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実験
実験
手法: 溶液NMR
NMR実験
Conditions-ID
Experiment-ID
Solution-ID
タイプ
1
1
1
2D NOESY
1
2
2
2D NOESY
2
3
2
2D NOESY
2
4
3
2D NOESY
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試料調製
詳細
Solution-ID
内容
溶媒系
1
1.2mMRNA, 8mMsodiumphosphatebufferpH6.6
90% H2O/10% D2O
2
1.2mMRNA, 8mMsodiumphosphatebufferpH6.6
100% D2O
試料状態
Conditions-ID
イオン強度
pH
圧 (kPa)
温度 (K)
1
8mMNaphosphate
6.6
ambient
278K
2
8mMNaphosphate
6.6
ambient
298K
3
8mMNaphosphate
6.6
ambient
303K
結晶化
*PLUS
手法: その他 / 詳細: NMR
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NMR測定
NMRスペクトロメーター
タイプ
製造業者
モデル
磁場強度 (MHz)
Spectrometer-ID
Bruker DRX
Bruker
DRX
500
1
Bruker DMX
Bruker
DMX
600
2
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解析
NMR software
名称
バージョン
開発者
分類
XwinNMR
2.5
Bruker
collection
NMRPipe
1.7
Delaglio
解析
Sparky
3.66
Goddard & Kneller
データ解析
CHARMM
25.2
Brooksetal.
精密化
Insight II
97
MSI
精密化
精密化
手法: Using a motif-based approach, a model was constructed from X-ray, NMR structures of 6 known RNA motifs: (i) double helix, (ii) sheared G.A base pair, (iii) eukaryotic loop E motif, (iv) S- ...手法: Using a motif-based approach, a model was constructed from X-ray, NMR structures of 6 known RNA motifs: (i) double helix, (ii) sheared G.A base pair, (iii) eukaryotic loop E motif, (iv) S-turn, (v) trans Wobble G.U pair, (vi) U-turn. The resulting energy minimized model was then validated by comparing it with the NOESY data. ソフトェア番号: 1 詳細: Motifs (i) to (vi) were obtained from the following sources: (i) idealized A-form coordinates (InsightII, MSI); (ii)&(iii) PDB 430D.pdb; (iv) PDB 1ETG.pdb; (vi) PDB 1QA6.pdb; Motif (v) was constructed manually.
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 favorable non-bond energy 計算したコンフォーマーの数: 1 / 登録したコンフォーマーの数: 1