SOLUTION STRUCTURE OF OXIDIZED PARAMAGNETIC CU(II) PLASTOCYANIN FROM SYNECHOCYSTIS PCC6803
要素
PLASTOCYANINプラストシアニン
キーワード
ELECTRON TRANSPORT (電子伝達系) / copper protein beta barrel electron transfer (銅)
機能・相同性
機能・相同性情報
electron transporter, transferring electrons from cytochrome b6/f complex of photosystem II activity / plasma membrane-derived thylakoid membrane / copper ion binding 類似検索 - 分子機能
Plastocyanin, cyanobacteria / プラストシアニン / Blue (type 1) copper protein, plastocyanin-type / Blue (type 1) copper domain / Copper binding proteins, plastocyanin/azurin family / Blue (type 1) copper protein, binding site / Type-1 copper (blue) proteins signature. / Cupredoxins - blue copper proteins / Cupredoxin / Immunoglobulin-like ...Plastocyanin, cyanobacteria / プラストシアニン / Blue (type 1) copper protein, plastocyanin-type / Blue (type 1) copper domain / Copper binding proteins, plastocyanin/azurin family / Blue (type 1) copper protein, binding site / Type-1 copper (blue) proteins signature. / Cupredoxins - blue copper proteins / Cupredoxin / Immunoglobulin-like / サンドイッチ / Mainly Beta 類似検索 - ドメイン・相同性
内容: 3 mM plastocyanin U-15N 50 mM phosphate buffer / 溶媒系: 90% H2O/10% D2O
試料状態
イオン強度: 50 mM phosphate / pH: 5.2 / 圧: ambient / 温度: 295 K
結晶化
*PLUS
手法: その他 / 詳細: NMR
-
NMR測定
放射
プロトコル: SINGLE WAVELENGTH / 単色(M)・ラウエ(L): M
放射波長
相対比: 1
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
800
2
-
解析
NMR software
名称
バージョン
開発者
分類
XwinNMR
2
Bruker
collection
XwinNMR
2
Bruker
データ解析
XEASY
1.3.13
Xia, Bartels
データ解析
DYANA
1.5
Guentert
精密化
精密化
手法: torsion angle dynamics / ソフトェア番号: 1 詳細: The protein contains paramagnetic copper(II), whose electronic relaxation times are quite unfavorable for NMR solution studies. The structure has been solved on the basis of 1041 meaningful ...詳細: The protein contains paramagnetic copper(II), whose electronic relaxation times are quite unfavorable for NMR solution studies. The structure has been solved on the basis of 1041 meaningful NOESY cross peaks, 18 1D NOEs, 26 T1 values, 96 dihedral angle constraints and 18 H-bonds. The detection of broad hyperfine shifted signals and their full assignment allowed the identification of the copper(II) ligands and the determination of the Cu-S-C-H dihedral angle for the coordinated cysteine. The global root mean square deviation from the mean structure for the solution structure family is 0.72 and 1.16 for backbone and heavy atoms, respectively.
代表構造
選択基準: fewest violations
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: 400 / 登録したコンフォーマーの数: 35