Text: 1. THE 3 NOESY AND 3 HCCH-TYPE TOCSY SPECTRA WERE COLLECTED WITH NON-UNIFORM (NON-LINEAR) SAMPLING AND PROCESSED WITH MDDNMR SOFTWARE. 2. RESIDUES 54-90 FORM A GLOBULAR ZN2+ BINDING MODULE. 3. ...Text: 1. THE 3 NOESY AND 3 HCCH-TYPE TOCSY SPECTRA WERE COLLECTED WITH NON-UNIFORM (NON-LINEAR) SAMPLING AND PROCESSED WITH MDDNMR SOFTWARE. 2. RESIDUES 54-90 FORM A GLOBULAR ZN2+ BINDING MODULE. 3. RESIDUES 1-27, 48-53 AND 91-108 ARE DISORDERED, AS JUDGED BY LACK OF LONG- AND MEDIUM- RANGE NOES AND RANDOM COIL INDEX AND CHEMICAL SHIFT INDEX PREDICTIONS. 4. HELIX 2 (RESIDUES 37-47), WHILE NOT PART OF THE GLOBULAR DOMAIN, IS SUPPORTED BY BOTH NOE AND CHEMICAL SHIFT DATA (RANDOM COIL INDEX, CHEMICAL SHIFT INDEX, TALOS). 5. RESIDUES 28-36 (HELIX 1) APPEAR TO FORM A NASCENT HELIX WITH SOME MEDIUM RANGE NOES, BUT CHEMICAL SHIFT DATA (RANDOM COIL INDEX, CHEMICAL SHIFT INDEX) SUGGEST IT MAY NOT BE A STABLE HELIX.
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試料調製
詳細
内容: 0.7-1 mM [U-100% 13C; U-100% 15N] protein YBIL-1, 10 uM Zn sulfate-2, 10 mM [U-2H] DTT-3, 10 mM [U-2H] TRIS-4, 300 mM sodium chloride-5, 0.01 % sodium azide-6, 1 mM benzamidine-7, 1 mM Roche ...内容: 0.7-1 mM [U-100% 13C; U-100% 15N] protein YBIL-1, 10 uM Zn sulfate-2, 10 mM [U-2H] DTT-3, 10 mM [U-2H] TRIS-4, 300 mM sodium chloride-5, 0.01 % sodium azide-6, 1 mM benzamidine-7, 1 mM Roche inhibitor-8, 90% H2O/10% D2O 溶媒系: 90% H2O/10% D2O
試料
濃度 (mg/ml)
単位
構成要素
Isotopic labeling
Conc. range (mg/ml)
Solution-ID
mM
protein YBIL-1
[U-100% 13C; U-100% 15N]
0.7-1
1
10uM
Zn sulfate-2
1
10mM
DTT-3
[U-2H]
1
10mM
TRIS-4
[U-2H]
1
300mM
sodium chloride-5
1
0.01 %
sodium azide-6
1
1mM
benzamidine-7
1
1mM
Roche inhibitor-8
1
試料状態
イオン強度: 0.300 / pH: 7.0 / 圧: ambient / 温度: 298 K
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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
Varian INOVA
Varian
INOVA
600
1
Bruker Avance
Bruker
AVANCE
800
2
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解析
NMR software
名称
バージョン
開発者
分類
CNS
Brunger, Adams, Clore, Gros, NilgesandRead
精密化
CYANA
Guntert, MumenthalerandWuthrich
構造決定
ABACUS
A. Lemak
chemicalshiftassignment
ABACUS
A. Lemak
データ解析
TALOS
Cornilescu, DelaglioandBax
geometryoptimization
Analysis
2.06
CCPN
データ解析
Analysis
2.06
CCPN
peakpicking
NMRPipe
Delaglio, Grzesiek, Vuister, Zhu, PfeiferandBax
解析
MddNMR
V. Orekhov, I. Ibraghimov
解析
精密化
手法: molecular dynamics / ソフトェア番号: 1 / 詳細: water bath
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: 20