- PDB-6g8o: Solution structure of the cross-linked SAM domain dimer of murine SLy1 -
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基本情報
登録情報
データベース: PDB / ID: 6g8o
タイトル
Solution structure of the cross-linked SAM domain dimer of murine SLy1
要素
SAM and SH3 domain-containing protein 3
キーワード
SIGNALING PROTEIN / SLy1 / SAM / adapter protein / scaffold protein
機能・相同性
機能・相同性情報
positive regulation of lymphocyte activation / positive regulation of CD4-positive, alpha-beta T cell differentiation / positive regulation of adaptive immune response / CD4-positive, alpha-beta T cell differentiation / positive regulation of organ growth / positive regulation of immunoglobulin production / positive regulation of interleukin-4 production / B cell proliferation / positive regulation of interleukin-10 production / B cell homeostasis ...positive regulation of lymphocyte activation / positive regulation of CD4-positive, alpha-beta T cell differentiation / positive regulation of adaptive immune response / CD4-positive, alpha-beta T cell differentiation / positive regulation of organ growth / positive regulation of immunoglobulin production / positive regulation of interleukin-4 production / B cell proliferation / positive regulation of interleukin-10 production / B cell homeostasis / T cell proliferation / positive regulation of T cell proliferation / positive regulation of B cell proliferation / homeostasis of number of cells within a tissue / positive regulation of interleukin-2 production / positive regulation of T cell cytokine production / positive regulation of tumor necrosis factor production / positive regulation of type II interferon production / nucleus / cytoplasm 類似検索 - 分子機能
SAM and SH3 domain-containing protein 3, SH3 domain / SAM and SH3 domain-containing protein 3 / SAM/SH3 domain-containing / SLy Proteins Associated Disordered Region / Transcription Factor, Ets-1 / Variant SH3 domain / SAM domain (Sterile alpha motif) / SAM domain profile. / Sterile alpha motif. / Sterile alpha motif domain ...SAM and SH3 domain-containing protein 3, SH3 domain / SAM and SH3 domain-containing protein 3 / SAM/SH3 domain-containing / SLy Proteins Associated Disordered Region / Transcription Factor, Ets-1 / Variant SH3 domain / SAM domain (Sterile alpha motif) / SAM domain profile. / Sterile alpha motif. / Sterile alpha motif domain / Sterile alpha motif/pointed domain superfamily / Src homology 3 domains / DNA polymerase; domain 1 / SH3-like domain superfamily / Src homology 3 (SH3) domain profile. / SH3 domain / Orthogonal Bundle / Mainly Alpha 類似検索 - ドメイン・相同性
SAM and SH3 domain-containing protein 3 類似検索 - 構成要素
根拠: equilibrium centrifugation, gel filtration, native gel electrophoresis
タイプ
名称
対称操作
数
identity operation
1_555
1
Buried area
2360 Å2
ΔGint
-13 kcal/mol
Surface area
6940 Å2
手法
PISA
NMR アンサンブル
データ
基準
コンフォーマー数 (登録 / 計算)
15 / 100
structures with the lowest energy
代表モデル
モデル #1
closest to the average
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要素
#1: タンパク質
SAMandSH3domain-containingprotein3 / SH3 protein expressed in lymphocytes
分子量: 7954.952 Da / 分子数: 2 / 断片: SAM domain, UNP residues 253-321 / 変異: K1G, S68C / 由来タイプ: 組換発現 詳細: The two chains A and B are cross-linked by an artificial intermonomer disulfide bond at position 68 (320) 由来: (組換発現) Mus musculus (ハツカネズミ) / 遺伝子: Sash3, Sly / 発現宿主: Escherichia coli BL21(DE3) (大腸菌) / 参照: UniProt: Q8K352
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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
2
2D 1H-15N HSQC
1
2
1
isotropic
2
2D 1H-13C HSQC aliphatic
1
3
1
isotropic
1
3D HNCO
1
4
1
isotropic
1
3D HNCA
1
5
1
isotropic
1
3D HN(CA)CB
1
7
1
isotropic
1
3DCBCA(CO)NH
1
6
1
isotropic
1
3DH(CCO)NH
1
9
1
isotropic
1
3DC(CO)NH
1
8
1
isotropic
2
3D (H)CCH-TOCSY
1
10
1
isotropic
2
3D 1H-15N NOESY
1
11
2
isotropic
2
3D 1H-15N NOESY
1
13
1
isotropic
2
3D 1H-13C NOESY aliphatic
1
12
1
isotropic
2
3D 1H-13C NOESY aromatic
1
14
2
isotropic
2
3D 1H-13C NOESY aliphatic
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試料調製
詳細
タイプ
Solution-ID
内容
Label
溶媒系
solution
1
1.4 mM [U-99% 13C; U-99% 15N] SLy1 SAM domain, 50 mM potassium phosphate, 20 mM NaCl, 0.2 mM EDTA, 0.03 % sodium azide, 93% H2O/7% D2O
Sample_1
93% H2O/7% D2O
solution
2
0.8 mM [U-99% 13C; U-99% 15N] SLy1 SAM domain, 0.8 mM SLy1 SAM domain, 50 mM potassium phosphate, 20 mM sodium chloride, 0.2 mM EDTA, 0.03 % sodium azide, 93% H2O/7% D2O
Sample_2
93% H2O/7% D2O
試料
濃度 (mg/ml)
構成要素
Isotopic labeling
Solution-ID
1.4mM
SLy1SAMdomain
[U-99% 13C; U-99% 15N]
1
50mM
potassiumphosphate
naturalabundance
1
20mM
NaCl
naturalabundance
1
0.2mM
EDTA
naturalabundance
1
0.03 %
sodiumazide
naturalabundance
1
0.8mM
SLy1SAMdomain
[U-99% 13C; U-99% 15N]
2
50mM
potassiumphosphate
naturalabundance
2
20mM
sodiumchloride
naturalabundance
2
0.2mM
EDTA
naturalabundance
2
0.03 %
sodiumazide
naturalabundance
2
試料状態
イオン強度: 0.098 M / Label: Standard_conditions / pH: 6.4 / 圧: 1 bar / 温度: 308 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
Bruker AVANCE
Bruker
AVANCE
600
1
Bruker AVANCE
Bruker
AVANCE
700
2
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解析
NMR software
名称
開発者
分類
NMRPipe
Delaglio, Grzesiek, Vuister, Zhu, PfeiferandBax
解析
NMRDraw
Delaglio, Grzesiek, Vuister, Zhu, PfeiferandBax
解析
CcpNmr Analysis
CCPN
chemicalshiftassignment
ARIA
Linge, O'DonoghueandNilges
chemicalshiftassignment
CNS
Brunger, Adams, Clore, Gros, NilgesandRead
structurecalculation
CNS
Brunger, Adams, Clore, Gros, NilgesandRead
精密化
精密化
手法: simulated annealing / ソフトェア番号: 6
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 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: 15