0.4 mM [U-100% 13C; U-100% 15N] Calmodulin, 1.2 mM Cyclic nucleotide-gated cation channel beta-1, 20 mM [U-100% 2H] TRIS, 1 mM Calcium chloride, 90% H2O/10% D2O
13C_15N_Sample_in_H2O
90% H2O/10% D2O
solution
2
0.4 mM [U-100% 13C; U-100% 15N] Calmodulin, 1.2 mM Cyclic nucleotide-gated cation channel beta-1, 20 mM [U-100% 2H] TRIS, 1 mM Calcium chloride, 100% D2O
13C_15N_Sample_in_D2O
100% D2O
試料
濃度 (mg/ml)
構成要素
Isotopic labeling
Solution-ID
0.4mM
Calmodulin
[U-100% 13C; U-100% 15N]
1
1.2mM
Cyclic nucleotide-gated cation channel beta-1
naturalabundance
1
20mM
TRIS
[U-100% 2H]
1
1mM
Calciumchloride
naturalabundance
1
0.4mM
Calmodulin
[U-100% 13C; U-100% 15N]
2
1.2mM
Cyclic nucleotide-gated cation channel beta-1
naturalabundance
2
20mM
TRIS
[U-100% 2H]
2
1mM
Calciumchloride
naturalabundance
2
試料状態
イオン強度: 1 mM / Label: Condition_1 / pH: 7.0 / 圧: 1 atm / 温度: 308 K
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NMR測定
NMRスペクトロメーター
タイプ: Bruker AVANCE III / 製造業者: Bruker / モデル: AVANCE III / 磁場強度: 800 MHz
-
解析
NMR software
名称
開発者
分類
NMRPipe
Delaglio, Grzesiek, Vuister, Zhu, PfeiferandBax
解析
Sparky
Goddard
chemicalshiftassignment
HADDOCK
Bonvin
精密化
HADDOCK
Bonvin
structurecalculation
精密化
手法: simulated annealing / ソフトェア番号: 3 詳細: The authors state that for the structure of the calmodulin C-lobe, they used residues 82-149 from the available structure of the calmodulin/IQ domain complex (PDB ID - 2F3Y, chain A). The ...詳細: The authors state that for the structure of the calmodulin C-lobe, they used residues 82-149 from the available structure of the calmodulin/IQ domain complex (PDB ID - 2F3Y, chain A). The structure of the peptide fragment of the Cyclic nucleotide-gated cation channel beta-1 was generated in Modeller 9.25 using the template of creatine kinase peptide (PDB ID - 7BF2, chain B[auth DDD]). Finally, the HADDOCK calculation was performed on an energy minimized peptide obtained after energy minimization in Gromacs.