- PDB-2lu7: Solution NMR Structure of Ig like domain (1277-1357) of Obscurin-... -
+
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: 2lu7
タイトル
Solution NMR Structure of Ig like domain (1277-1357) of Obscurin-like protein 1 from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR8578D
要素
Obscurin-like protein 1
キーワード
STRUCTURAL PROTEIN / Structural Genomics / NORTHEAST STRUCTURAL GENOMICS CONSORTIUM / NESG / PSI-Biology / Protein Structure Initiative
機能・相同性
機能・相同性情報
3M complex / protein localization to Golgi apparatus / cardiac myofibril assembly / cytoskeletal anchor activity / M band / positive regulation of dendrite morphogenesis / regulation of mitotic nuclear division / Golgi organization / intercalated disc / cytoskeleton organization ...3M complex / protein localization to Golgi apparatus / cardiac myofibril assembly / cytoskeletal anchor activity / M band / positive regulation of dendrite morphogenesis / regulation of mitotic nuclear division / Golgi organization / intercalated disc / cytoskeleton organization / Z disc / microtubule cytoskeleton organization / Neddylation / centrosome / perinuclear region of cytoplasm / Golgi apparatus / cytosol / cytoplasm 類似検索 - 分子機能
: / Immunoglobulin domain / Immunoglobulin I-set / Immunoglobulin I-set domain / Immunoglobulin subtype 2 / Immunoglobulin C-2 Type / Fibronectin type-III domain profile. / Fibronectin type III / Fibronectin type III superfamily / Immunoglobulin subtype ...: / Immunoglobulin domain / Immunoglobulin I-set / Immunoglobulin I-set domain / Immunoglobulin subtype 2 / Immunoglobulin C-2 Type / Fibronectin type-III domain profile. / Fibronectin type III / Fibronectin type III superfamily / Immunoglobulin subtype / Immunoglobulin / Ig-like domain profile. / Immunoglobulin-like domain / Immunoglobulin-like domain superfamily / Immunoglobulins / Immunoglobulin-like fold / Immunoglobulin-like / Sandwich / Mainly Beta 類似検索 - ドメイン・相同性
3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY
1
8
2
2D 1H-13C HSQC (CT-28 ms) aliphatic
1
9
1
2D 1H-13C HSQC aromatic
1
10
1
2D 1H-13C HSQC (CT-16 ms) aromatic
1
11
1
2D 1H-13C HSQC (CT-27 ms) aliphatic
1
12
1
3D C(CO)NH-TOCSY
1
13
1
3D H(CCO)NH-TOCSY
1
14
1
3D (H)CCH-TOCSY
1
15
1
3D-(H)CCH-COSY-ali
1
16
1
3D (H)CCH-COSY-aro
1
17
2
2D 1H-13C HSQC (CT-56 ms) aliphatic
1
18
1
3DHN(CA)CO
-
試料調製
詳細
Solution-ID
内容
溶媒系
1
0.56 mM [U-100% 13C; U-100% 15N] HR8578D.005, 100 mM NaCl, 5 mM DTT, 0.02 % NaN3, 10 mM Tris-HCl pH 7.5, 90% H2O/10% D2O
90% H2O/10% D2O
2
0.52 mM [U-5% 13C; U-100% 15N] HR8578D.006, 100 mM NaCl, 5 mM DTT, 0.02 % NaN3, 10 mM Tris-HCl pH 7.5, 90% H2O/10% D2O
90% H2O/10% D2O
試料
濃度 (mg/ml)
構成要素
Isotopic labeling
Solution-ID
0.56mM
HR8578D.005-1
[U-100% 13C; U-100% 15N]
1
100mM
NaCl-2
1
5mM
DTT-3
1
0.02 %
NaN3-4
1
10mM
Tris-HCl pH 7.5-5
1
0.52mM
HR8578D.006-6
[U-5% 13C; U-100% 15N]
2
100mM
NaCl-7
2
5mM
DTT-8
2
0.02 %
NaN3-9
2
10mM
Tris-HCl pH 7.5-10
2
試料状態
pH: 7.5 / 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
Varian INOVA
Varian
INOVA
750
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
solution,geometryoptimization
CYANA
3
Guntert, MumenthalerandWuthrich
精密化
CYANA
3
Guntert, MumenthalerandWuthrich
geometryoptimization
CYANA
3
Guntert, MumenthalerandWuthrich
構造決定
AutoStructure
2.1
Huang, Tejero, PowersandMontelione
データ解析
AutoStructure
2.1
Huang, Tejero, PowersandMontelione
精密化
AutoAssign
2.1
Zimmerman, Moseley, KulikowskiandMontelione
データ解析
AutoAssign
2.1
Zimmerman, Moseley, KulikowskiandMontelione
chemicalshiftassignment
CARA
1.8.4
KellerandWuthrich
chemicalshiftassignment
VnmrJ
Varian
データ収集
CSI
(CSI) WishartandSykes
secondarystructureanalysis
PROSA
6.4
Guntert
解析
TALOS+
Shen, Cornilescu, DelaglioandBax
geometryoptimization
PSVS
Bhattacharya, Montelione
structurevalidation
精密化
手法: simulated annealing / ソフトェア番号: 1 詳細: STRUCTURE DETERMINATION WAS PERFORMED BY CYANA AND AUTOSTRUCTURE IN PARALLEL USING NOE-BASED CONSTRAINTS AND PHI AND PSI DIHEDRAL ANGLE CONSTRAINTS. CONSENSUS PEAK ASSIGNMENTS GENERATED FROM ...詳細: STRUCTURE DETERMINATION WAS PERFORMED BY CYANA AND AUTOSTRUCTURE IN PARALLEL USING NOE-BASED CONSTRAINTS AND PHI AND PSI DIHEDRAL ANGLE CONSTRAINTS. CONSENSUS PEAK ASSIGNMENTS GENERATED FROM THESE PARALLEL RUNS WERE SELECTED AND USED FOR FURTHER REFINEMENT WITH CYANA, THE RDC CONSTRAINTS WERE ADDED AT LATER STAGES. A TOTAL OF 20 CONFORMERS OUT OF 100 CONFORMERS WITH THE LOWEST TARGET FUNCTION WERE SELECTED FOR REFINEMENT WITH CNS USING CNS WATER BATH REFINEMENT.
NMR constraints
NOE constraints total: 1283 / NOE intraresidue total count: 171 / NOE long range total count: 612 / NOE medium range total count: 172 / Protein phi angle constraints total count: 32 / Protein psi angle constraints total count: 32
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: target function / 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