分子量: 906.024 Da / 分子数: 1 / 断片: C-TERMINAL REGION 130-135 / 由来タイプ: 合成 詳細: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED. THE PEPTIDE CORRESPONDS TO THE IRGERA SEQUENCE PRESENT IN THEC-TERMINAL REGION 130-135 OF HISTONE H3 BOUND TO THE MAB4X11 MONOCLONAL ANTIBODY (IGG1). ...詳細: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED. THE PEPTIDE CORRESPONDS TO THE IRGERA SEQUENCE PRESENT IN THEC-TERMINAL REGION 130-135 OF HISTONE H3 BOUND TO THE MAB4X11 MONOCLONAL ANTIBODY (IGG1). THE SEQUENCE CGG WAS ADDED TO THE N- TERMINUS OF THE IRGERA SEQUENCE AS A LINKER TO THE DEXTRAN MATRIX IN BIACORE EXPERIMENTS VIA THE CYS THIOL GROUP. ALA WAS REPLACED BY GLY. 参照: UniProt: P16106, UniProt: P68431*PLUS
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実験情報
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実験
実験
手法: 溶液NMR
NMR実験
タイプ: TOCSY, NOESY, COSY
NMR実験の詳細
Text: THE PEPTIDE/MAB MOLAR RATIO WAS ADJUSTED TO 50/1 (I.E. 5MM OF PEPTIDE AND 0.1 MM MAB)
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試料調製
詳細
内容: 5 MM PEPTIDE, 0.1 MM MAB; 100 MM PHOSPHTE BUFFER CONTAINING 0.02% SODIUM AZIDE
タイプ: Bruker DRX / 製造業者: Bruker / モデル: DRX / 磁場強度: 400 MHz
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解析
NMR software
名称
バージョン
開発者
分類
DYANA
1.4
GUNTERT, WUTHRICH
構造決定
Discover
3
MOLECULARSIMULATIONSINC., SANDIEGO, CA
構造決定
Discover
3
MOLECULARSIMULATIONSINC.
精密化
精密化
手法: ENERGY MINIMISATION MOLECULAR DYNAMICS / ソフトェア番号: 1 詳細: ENERGY MINIMISATION. A DISTANT DEPENDENT DIELECTRIC CONSTANT EQUAL TO 4R WAS APPLIED. THE NET ELECTRIC CHARGES WERE DECREASED, WHILE THOSE OF THE N AND C TERMINAL CHARGED GROUPS WERE ...詳細: ENERGY MINIMISATION. A DISTANT DEPENDENT DIELECTRIC CONSTANT EQUAL TO 4R WAS APPLIED. THE NET ELECTRIC CHARGES WERE DECREASED, WHILE THOSE OF THE N AND C TERMINAL CHARGED GROUPS WERE NEGLECTED. IN THE PDB, NH3+ IS INCLUDED IN THE RESIDUE CYS, AND COO- IS INCLUDED IN THE RESIDUE GLY. THE RESIDUE GLU HAS MISSING ATOMS HE2 IN ALL STRUCTURES BECAUSE IN DISCOVER, THIS RESIDUE IS MODELLED AS A CHARGED GROUP(WE HAVE COO- AND NOT COOH).
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: 50 / 登録したコンフォーマーの数: 11