- PDB-2mma: NMR-based docking model of GrxS14-BolA2 apo-heterodimer from Arab... -
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基本情報
登録情報
データベース: PDB / ID: 2mma
タイトル
NMR-based docking model of GrxS14-BolA2 apo-heterodimer from Arabidopsis thaliana
要素
BolA2
Monothiol glutaredoxin-S14, chloroplastic
キーワード
GENE REGULATION (遺伝子発現の調節) / stress-responsive protein / transcriptional regulator
機能・相同性
機能・相同性情報
protein maturation by iron-sulfur cluster transfer / chloroplast envelope / antiporter activity / response to iron ion / 葉緑体 / monoatomic cation transport / 葉緑体 / 2 iron, 2 sulfur cluster binding / response to oxidative stress / metal ion binding ...protein maturation by iron-sulfur cluster transfer / chloroplast envelope / antiporter activity / response to iron ion / 葉緑体 / monoatomic cation transport / 葉緑体 / 2 iron, 2 sulfur cluster binding / response to oxidative stress / metal ion binding / 細胞核 / 細胞膜 / 細胞質基質 / 細胞質 類似検索 - 分子機能
BolA-like protein 2 / Monothiol glutaredoxin-related / Glutaredoxin, PICOT-like / BolA-like / BolA protein / BolA-like superfamily / BolA-like protein / Glutaredoxin / Glutaredoxin / Glutaredoxin domain profile. ...BolA-like protein 2 / Monothiol glutaredoxin-related / Glutaredoxin, PICOT-like / BolA-like / BolA protein / BolA-like superfamily / BolA-like protein / Glutaredoxin / Glutaredoxin / Glutaredoxin domain profile. / GMP Synthetase; Chain A, domain 3 / Glutaredoxin / Glutaredoxin / Thioredoxin-like superfamily / 2-Layer Sandwich / 3-Layer(aba) Sandwich / Alpha Beta 類似検索 - ドメイン・相同性
Monothiol glutaredoxin-S14, chloroplastic / Protein BOLA2 類似検索 - 構成要素
0.12 mM [U-100% 15N] BolA2, 0.012-0.24 mM GrxS14, 90% H2O/10% D2O
90% H2O/10% D2O
2
0.12 mM [U-100% 15N] GrxS14, 0.012-0.24 mM BolA2, 90% H2O/10% D2O
90% H2O/10% D2O
3
0.12 mM [U-100% 15N] GrxS14, 90% H2O/10% D2O
90% H2O/10% D2O
4
0.12 mM [U-100% 15N] BolA2, 90% H2O/10% D2O
90% H2O/10% D2O
試料
濃度 (mg/ml)
単位
構成要素
Isotopic labeling
Conc. range (mg/ml)
Solution-ID
0.12mM
BolA2-1
[U-100% 15N]
1
mM
GrxS14-2
0.012-0.24
1
0.12mM
GrxS14-3
[U-100% 15N]
2
mM
BolA2-4
0.012-0.24
2
0.12mM
GrxS14-5
[U-100% 15N]
3
0.12mM
BolA2-6
[U-100% 15N]
4
試料状態
イオン強度: 0.05 / pH: 7 / 圧: ambient / 温度: 298 K
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NMR測定
NMRスペクトロメーター
タイプ: Bruker DRX / 製造業者: Bruker / モデル: DRX / 磁場強度: 600 MHz
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解析
NMR software
名称
バージョン
開発者
分類
NMRView
Johnson, OneMoonScientific
peakpicking
NMRView
Johnson, OneMoonScientific
chemicalshiftassignment
GRAMM-X_Protein-Protein_Docking_Web_Server
1.2.0
Tovchigrechko
構造決定
YASARA_Energy_Minimization_Server
Krieger
geometryoptimization
YASARA_Energy_Minimization_Server
Krieger
精密化
GRAMM-X_Protein-Protein_Docking_Web_Server
Tovchigrechko
精密化
精密化
手法: molecular dynamics, energy minimization / ソフトェア番号: 1 詳細: Energy minimization using the YASARA force field. The structure was moved to a nearby (local) minimum, with removal of clashes and small errors.
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: all calculated structures submitted 計算したコンフォーマーの数: 1 / 登録したコンフォーマーの数: 1