- PDB-2kqm: Solution structure of the KI O18/O8 Y87H immunoglobulin light cha... -
+
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: 2kqm
タイトル
Solution structure of the KI O18/O8 Y87H immunoglobulin light chain variable domain
要素
Ig kappa chain V-I region AU
キーワード
IMMUNE SYSTEM (免疫系) / Amyloidosis (アミロイドーシス) / Immunoglobulin kappa light chain / homodimer / Bence-Jones protein (ベンス・ジョーンズ蛋白) / Disulfide bond (ジスルフィド) / Immunoglobulin domain (免疫グロブリンフォールド) / Immunoglobulin V region
機能・相同性
抗体 / Immunoglobulin-like / サンドイッチ / Mainly Beta
機能・相同性情報
生物種
Homo sapiens (ヒト)
手法
溶液NMR / AUTOMATED METHODS WERE USED FOR BACKBONE CHEMICAL SHIFT ASSIGNMENT, ITERATIVE NOE REFINEMENT. FINAL STRUCTURES WERE OBTAINED BY MOLECULAR DYNAMICS IN EXPLICIT SOLVENT
Eccles, C., Guntert, P., Billeter, M., Wuthrich, K.
データ解析
GARANT
2.1
C. Bartels
データ解析
Cyana
2.1
Guntert, P.
structuralcalculation
精密化
手法: AUTOMATED METHODS WERE USED FOR BACKBONE CHEMICAL SHIFT ASSIGNMENT, ITERATIVE NOE REFINEMENT. FINAL STRUCTURES WERE OBTAINED BY MOLECULAR DYNAMICS IN EXPLICIT SOLVENT ソフトェア番号: 1 詳細: HOMODIMER STRUCTURES ARE BASED ON A TOTAL OF 2477 NOE CONSTRAINTS (410 INTRA, 489 SEQUENTIAL, 340 MEDIUM, 1214 INTRAMONOMER LONG RANGE AND 24 INTERMONOMER NOE CONSTRAINTS) AND 151 PHI AND PSI ...詳細: HOMODIMER STRUCTURES ARE BASED ON A TOTAL OF 2477 NOE CONSTRAINTS (410 INTRA, 489 SEQUENTIAL, 340 MEDIUM, 1214 INTRAMONOMER LONG RANGE AND 24 INTERMONOMER NOE CONSTRAINTS) AND 151 PHI AND PSI DIHEDRAL ANGLE CONSTRAINTS PER MONOMER. CONSTRAINTS WERE ASSIGNED AND VALIDATED IN ONE MONOMER AND THEN DUPLICATED TO GENERATE A SYMMETRY RELATED CONSTRAINTS IN THE SECOND MONOMER.
NMR constraints
NOE constraints total: 2477 / NOE intraresidue total count: 410 / NOE long range total count: 1238 / NOE medium range total count: 340 / NOE sequential total count: 489 / Protein phi angle constraints total count: 73 / Protein psi angle constraints total count: 78
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