分子量: 11323.716 Da / 分子数: 1 / 由来タイプ: 組換発現 詳細: Stretch of the full protein sequence from residues 215 to 315 GIDPFT TEV cleavage site 由来: (組換発現) Burkholderia ambifaria AMMD (バクテリア) 遺伝子: Bamb_5917 / 発現宿主: Escherichia coli BL21(DE3) (大腸菌) / 参照: UniProt: Q0B311
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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
Sample state
Spectrometer-ID
タイプ
1
1
1
isotropic
1
2D 1H-1H NOESY
1
2
1
isotropic
1
3D 1H-15N NOESY
1
3
2
isotropic
1
3D 1H-13C NOESY
1
4
2
isotropic
1
3D HNCO
1
5
2
isotropic
1
3DHN(CA)CO
1
6
2
isotropic
1
3D HNCA
1
7
2
isotropic
1
3DHN(CO)CA
1
8
2
isotropic
1
3D HN(CA)CB
1
9
2
isotropic
1
3DHN(COCA)CB
1
10
2
isotropic
1
3DHBHA(CO)NH
1
11
2
isotropic
1
3D (H)CCH-TOCSY
1
12
1
isotropic
1
2D 1H-15N HSQC
1
13
2
isotropic
1
2D 1H-13C HSQC
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試料調製
詳細
タイプ
Solution-ID
内容
Label
溶媒系
solution
1
0.5 mM [U-99% 15N] 15N_PCP17, 50 mM potassium phosphate, 200 mM sodium chloride, 1 % DSS, 90 % H2O, 10 % D2O, 90% H2O/10% D2O
15N_Sample
90% H2O/10% D2O
solution
2
0.3 mM [U-13C; U-15N] 13C,15N_PCP17, 50 mM potassium phosphate, 200 mM sodium chloride, 1 % DSS, 90 % H2O, 10 % D2O, 90% H2O/10% D2O
手法: molecular dynamics / ソフトェア番号: 7 詳細: The 20 conformers of apo-PCP17 with the lowest target function values were subjected to restrained energy minimization and Molecular Dynamics (MD) calculations in explicit solvent with AMBER ...詳細: The 20 conformers of apo-PCP17 with the lowest target function values were subjected to restrained energy minimization and Molecular Dynamics (MD) calculations in explicit solvent with AMBER 14.0. NOEs and torsion angle constraints were applied with force constants of 50 kcal mol?1??2 and 32 kcal mol?1 rad?2, respectively.
代表構造
選択基準: target function
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: 200 / 登録したコンフォーマーの数: 20