- PDB-2n45: EC-NMR Structure of Escherichia coli Maltose-binding protein Dete... -
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基本情報
登録情報
データベース: PDB / ID: 2n45
タイトル
EC-NMR Structure of Escherichia coli Maltose-binding protein Determined by Combining Evolutionary Couplings (EC) and Sparse NMR Data with a second set of RDC data simulated for an alternative alignment tensor. Northeast Structural Genomics Consortium target ER690
THIS ENTRY 2N45 REFLECTS AN ALTERNATIVE MODELING OF THE ORIGINAL STRUCTURAL DATA IN PDB ENTRIES ...THIS ENTRY 2N45 REFLECTS AN ALTERNATIVE MODELING OF THE ORIGINAL STRUCTURAL DATA IN PDB ENTRIES 2MV0 AND 1EZP DETERMINED BY AUTHORS: P.ROSSI,O.F.LANGE,N.G.SGOURAKIS,Y.SONG,H.LEE,J.M.ARAMINI,A.ERTEKIN,R.XIAO,T.B.ACTON,D.BAKER,G.T.MONTELIONE,NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) (PDB ENTRY 2MV0); G.A.MUELLER,W.Y.CHOY,D.YANG,J.D.FORMAN-KAY,R.A.VENTERS,L.E.KAY (PDB ENTRY 1EZP).
Text: AUTHORS USED THE CS DATA AND THE NOESY PEAK LIST DATA FROM PDB ENTRY 2MV0, AND THE RDC DATA FROM PDB ENTRY 1EZP.
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試料調製
試料
濃度: 1.05 mM / 構成要素: MBP-1
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解析
NMR software
名称
開発者
分類
EVfold-plm
データ解析
ASDP (EC-NMR)
データ解析
CYANA
データ解析
Rosetta
Baker, D. etal.
精密化
TALOS+
データ解析
Reduce
Richardson, J. & Richardson, D.
精密化
精密化
手法: torsion angle dynamics / ソフトェア番号: 1 詳細: PROTONS FROM THE ROSETTA MODELS WERE REMOVED AND ADDED BACK USING REDUCE. REDCAT WAS USED TO SIMULATE ONE RDC DATA SET WITH ONE ALIGNMENT TENSOR FROM THE REFERENCE STRUCTURE.
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