- PDB-2lnu: Solution NMR Structure of the uncharacterized protein from gene l... -
+
データを開く
IDまたはキーワード:
読み込み中...
-
基本情報
登録情報
データベース: PDB / ID: 2lnu
タイトル
Solution NMR Structure of the uncharacterized protein from gene locus rrnAC0354 of Haloarcula marismortui, Northeast Structural Genomics Consortium Target HmR11
要素
Uncharacterized protein
キーワード
Structural Genomics / Unknown Function / NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) / PSI-Biology / Protein Structure Initiative
機能・相同性
Single alpha-helices involved in coiled-coils or other helix-helix interfaces - #1680 / Protein of unknown function DUF1684 / Protein of unknown function (DUF1684) / Single alpha-helices involved in coiled-coils or other helix-helix interfaces / Helix non-globular / Special / DUF1684 domain-containing protein
3D 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY
1
8
2
2Dhetnoe
1
9
2
1DT1inv.rec
1
10
2
1D T2 CPMG
1
11
2
2D 1H-13C HSQC highres
1
12
3
Jmod 15N TROSY
1
13
3
jmod 15N TROSY
-
試料調製
詳細
Solution-ID
内容
溶媒系
1
0.7 mM [U-100% 13C; U-100% 15N] HmR11, 0.02 % NaN3, 10 mM DTT, 5 mM CaCL2, 100 mM NaCL, 1 x Proteinase Inhibitors, 20 mM MES pH 6.5, 10 % D2O, 50 uM DSS, 95% H2O/5% D2O
95% H2O/5% D2O
2
1.2 mM [U-5% 13C; U-100% 15N] HmR11, 0.02 % NaN3, 10 mM DTT, 5 mM CaCL2, 100 mM NaCL, 1 x Proteinase Inhibitors, 20 mM MES pH 6.5, 10 % D2O, 50 uM DSS, 95% H2O/5% D2O
95% H2O/5% D2O
3
0.75 mM [U-5% 13C; U-100% 15N] HmR11, 0.02 % NaN3, 10 mM DTT, 5 mM CaCL2, 100 mM NaCL, 1 x Proteinase Inhibitors, 20 mM MES pH 6.5, 10 % D2O, 50 uM DSS, 95% H2O/5% D2O
95% H2O/5% D2O
試料
濃度 (mg/ml)
構成要素
Isotopic labeling
Solution-ID
0.7mM
HmR11-1-1
[U-100% 13C; U-100% 15N]
1
0.02 %
NaN3-2-2
1
10mM
DTT-3-3
1
5mM
CaCL2-4-4
1
100mM
NaCL-5-5
1
1 %
Proteinase Inhibitors-6-6
1
20mM
MES pH 6.5-7-7
1
10 %
D2O-8-8
1
50uM
DSS-9-9
1
1.2mM
HmR11-1-10
[U-5% 13C; U-100% 15N]
2
0.02 %
NaN3-2-11
2
10mM
DTT-3-12
2
5mM
CaCL2-4-13
2
100mM
NaCL-5-14
2
1 %
Proteinase Inhibitors-6-15
2
20mM
MES pH 6.5-7-16
2
10 %
D2O-8-17
2
50uM
DSS-9-18
2
0.75mM
HmR11-19
[U-5% 13C; U-100% 15N]
3
0.02 %
NaN3-2-20
3
10mM
DTT-3-21
3
5mM
CaCL2-4-22
3
100mM
NaCL-5-23
3
1 %
Proteinase Inhibitors-6-24
3
20mM
MES pH 6.5-7-25
3
10 %
D2O-8-26
3
50uM
DSS-9-27
3
試料状態
pH: 6.5 / 圧: ambient / 温度: 298 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
Varian INOVA
Varian
INOVA
600
2
-
解析
NMR software
名称
バージョン
開発者
分類
CNS
Brunger, Adams, Clore, Gros, NilgesandRead
精密化
CNS
Brunger, Adams, Clore, Gros, NilgesandRead
構造決定
CNS
Brunger, Adams, Clore, Gros, NilgesandRead
geometryoptimization
CYANA
3
Guntert, MumenthalerandWuthrich
精密化
CYANA
3
Guntert, MumenthalerandWuthrich
geometryoptimization
CYANA
3
Guntert, MumenthalerandWuthrich
構造決定
NMRPipe
Delaglio, Grzesiek, Vuister, Zhu, PfeiferandBax
解析
XEASY
Bartelsetal.
データ解析
XEASY
Bartelsetal.
peakpicking
XEASY
Bartelsetal.
chemicalshiftassignment
TopSpin
BrukerBiospin
collection
VnmrJ
Varian
collection
PINE
Bahrami, Markley, Assadi, andEghbalnia
chemicalshiftassignment
Sparky
Goddard
データ解析
TALOS+
Shen, Cornilescu, DelaglioandBax
geometryoptimization
PALES
PALES (Zweckstetter, Bax)
geometryoptimization
PSVS
Bhattacharya, Montelione
structurevalidation
精密化
手法: molecular dynamics / ソフトェア番号: 1 / 詳細: cns with rdc noe and dihedral constraints
NMR constraints
NOE constraints total: 3463
代表構造
選択基準: lowest energy
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: 20