BaculoviralIAPrepeat-containingprotein2 / C-IAP1 / IAP homolog B / Inhibitor of apoptosis protein 2 / IAP-2 / hIAP-2 / hIAP2 / RING finger ...C-IAP1 / IAP homolog B / Inhibitor of apoptosis protein 2 / IAP-2 / hIAP-2 / hIAP2 / RING finger protein 48 / TNFR2-TRAF-signaling complex protein 2
手法: 溶液NMR / 詳細: Caspase recruitment domain of cIAP1
NMR実験
Conditions-ID
Experiment-ID
Solution-ID
タイプ
1
1
1
2D 1H-1H NOESY
1
2
2
2D 1H-15N HSQC
1
3
3
3D HNCA
1
4
3
3D HN(CA)CB
1
5
3
CC(CO)NH
1
6
3
3D HNCO
1
7
3
3D (H)CCH-TOCSY
1
8
2
3D HNHA
1
9
2
3D HNHB
1
10
2
3D 1H-15N NOESY
1
11
3
3D 1H-13C NOESY
-
試料調製
詳細
Solution-ID
内容
溶媒系
1
1 mM cIAP1-CARD-1, 20 mM sodium phosphate-2, 50 mM sodium chloride-3, 5 mM TCEP-4, 90% H2O/10% D2O
90% H2O/10% D2O
2
1 mM [U-100% 15N] cIAP1-CARD-5, 20 mM sodium phosphate-6, 50 mM sodium chloride-7, 5 mM TCEP-8, 90% H2O/10% D2O
90% H2O/10% D2O
3
0.4 mM [U-100% 13C; U-100% 15N] cIAP1-CARD-9, 20 mM sodium phosphate-10, 50 mM sodium chloride-11, 5 mM TCEP-12, 90% H2O/10% D2O
90% H2O/10% D2O
試料
濃度 (mg/ml)
構成要素
Isotopic labeling
Solution-ID
1mM
cIAP1-CARD-1
1
20mM
sodium phosphate-2
1
50mM
sodium chloride-3
1
5mM
TCEP-4
1
1mM
cIAP1-CARD-5
[U-100% 15N]
2
20mM
sodium phosphate-6
2
50mM
sodium chloride-7
2
5mM
TCEP-8
2
0.4mM
cIAP1-CARD-9
[U-100% 13C; U-100% 15N]
3
20mM
sodium phosphate-10
3
50mM
sodium chloride-11
3
5mM
TCEP-12
3
試料状態
イオン強度: 0.14 / pH: 5.5 / 圧: ambient / 温度: 303.15 K
-
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 Avance
Bruker
AVANCE
800
1
Bruker Avance
Bruker
AVANCE
600
2
Bruker Avance
Bruker
AVANCE
500
3
Bruker DRX
Bruker
DRX
600
4
-
解析
NMR software
名称
開発者
分類
TopSpin
BrukerBiospin
collection
TopSpin
BrukerBiospin
解析
XEASY
Bartelsetal.
peakpicking
XEASY
Bartelsetal.
データ解析
CYANA
Guntert, MumenthalerandWuthrich
構造決定
X-PLOR NIH
Schwieters, Kuszewski, TjandraandClore
精密化
TALOS
Cornilescu, DelaglioandBax
データ解析
精密化
手法: torsion angle dynamics / ソフトェア番号: 1
NMR constraints
NOE constraints total: 2783 / NOE intraresidue total count: 799 / NOE long range total count: 591 / NOE medium range total count: 744 / NOE sequential total count: 649
代表構造
選択基準: closest to the average
NMRアンサンブル
コンフォーマー選択の基準: structures with the least restraint violations 計算したコンフォーマーの数: 256 / 登録したコンフォーマーの数: 20 / 代表コンフォーマー: 1
NMR ensemble rms
Distance rms dev: 0.015 Å / Distance rms dev error: 0.002 Å