ALTHOUGH EACH NMR SAMPLE CONTAINED THE ENTIRE SEQUENCES FOR CHAINS A, B AS LISTED IN SEQRES, ONLY A ...ALTHOUGH EACH NMR SAMPLE CONTAINED THE ENTIRE SEQUENCES FOR CHAINS A, B AS LISTED IN SEQRES, ONLY A PORTION OF THE STRUCTURE CORRESPONDING TO THE BETA SUBUNIT WAS OBSERVED. THE ALPHA SUBUNIT (CHAIN A) DOES NOT HAVE A SINGLE UNIQUE CONFORMATION AND HENCE LACKS STRUCTURE. LIKEWISE, THE POLYHIS TAG IN CHAIN B LACKS STRUCTURE
配列の詳細
THE INTEGRIN ALPHA-IIB STRUCTURE REPRESENTING CHAIN A WITH UNIPROT REFERENCE ITA2B_HUMAN AND ...THE INTEGRIN ALPHA-IIB STRUCTURE REPRESENTING CHAIN A WITH UNIPROT REFERENCE ITA2B_HUMAN AND SEQUENCE SPECWKVGFFKRNRPPLEEDDEEGE IS NOT OBSERVED IN THE EXPERIMENT
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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
タイプ
1
1
1
3DCBCA(CO)NH
1
2
1
3D HNCO
1
3
1
3D HN(CA)CB
1
4
1
3D (H)CCH-TOCSY
1
5
1
3D HNHA
1
6
1
3D 1H-15N NOESY
1
7
1
3D 1H-15N TOCSY
1
8
1
3D 1H-13C NOESY
1
9
1
2D 1H-15N HSQC
1
10
2
2D 1H-13C HSQC
1
11
1
2D 1H-13C HSQC
1
12
1
4D (13C)HSQC-NOESY-(13C)HSQC
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試料調製
詳細
Solution-ID
内容
溶媒系
1
5 mM sodium phosphate-1, 100 mM [U-99% 2H] DPC-2, 0.02 % sodium azide-3, 25 mM TFA-4, 1 mM [U-99% 13C; U-99% 15N] entity_beta3-5, 1 mM entity_alphaIIb-6, 90% H2O/10% D2O
90% H2O/10% D2O
2
5 mM sodium phosphate-7, 100 mM [U-99% 2H] DPC-8, 0.02 % sodium azide-9, 25 mM TFA-10, 1 mM [U-10% 13C; U-99% 15N] entity_beta3-11, 1 mM entity_alphaIIb-12, 90% H2O/10% D2O
90% H2O/10% D2O
試料
濃度 (mg/ml)
構成要素
Isotopic labeling
Solution-ID
5mM
sodium phosphate-1
1
100mM
DPC-2
[U-99% 2H]
1
0.02 %
sodium azide-3
1
25mM
TFA-4
1
1mM
entity_beta3-5
[U-99% 13C; U-99% 15N]
1
1mM
entity_alphaIIb-6
1
5mM
sodium phosphate-7
2
100mM
DPC-8
[U-99% 2H]
2
0.02 %
sodium azide-9
2
25mM
TFA-10
2
1mM
entity_beta3-11
[U-10% 13C; U-99% 15N]
2
1mM
entity_alphaIIb-12
2
試料状態
イオン強度: not calculated / pH: 6 / 圧: ambient / 温度: 310 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
750
1
Varian INOVA
Varian
INOVA
500
2
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解析
NMR software
名称
開発者
分類
X-PLOR NIH
Schwieters, Kuszewski, TjandraandClore
構造決定
X-PLOR NIH
Schwieters, Kuszewski, TjandraandClore
精密化
Felix
AccelrysSoftwareInc.
解析
Sparky
Goddard
peakpicking
Sparky
Goddard
chemicalshiftassignment
精密化
手法: simulated annealing / ソフトェア番号: 1
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: 3148 / 登録したコンフォーマーの数: 20