Text: The amino acid sequence numbering follows the bovine scheme, with the first four residues given negative values. These four residues are disordered and not included in the coordinates.
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試料調製
詳細
Solution-ID
内容
溶媒系
1
1mMapocytochromeb5, 13C,15N
90% H2O/10% D2O
2
1mMapocytochromeb5, 15N
90% H2O/10% D2O
3
2mMapocytochromeb5
90% H2O/10% D2O
4
2mMapocytochromeb5
100% D2O
試料状態
イオン強度: low / pH: 6.2 / 圧: ambient / 温度: 298 K
結晶化
*PLUS
手法: other / 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 AMX
Bruker
AMX
500
1
Bruker AVANCE
Bruker
AVANCE
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
Felix
97
MSI
解析
Felix
97
MSI
データ解析
X-PLOR
3.851
Brunger
構造決定
X-PLOR
3.851
Brunger
精密化
精密化
手法: distance geometry simulated annealing, molecular dynamics ソフトェア番号: 1 詳細: His 26, 27, 39, 63, and 80 were protonated at the NE2 position in accordance to 15N NMR data. His 15 has a high pK and was protonated at the ND1 and NE2 positions. Additional details are ...詳細: His 26, 27, 39, 63, and 80 were protonated at the NE2 position in accordance to 15N NMR data. His 15 has a high pK and was protonated at the ND1 and NE2 positions. Additional details are provided in the primary citation.
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: 1