- PDB-2kuc: Solution Structure of a putative disulphide-isomerase from Bacter... -
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基本情報
登録情報
データベース: PDB / ID: 2kuc
タイトル
Solution Structure of a putative disulphide-isomerase from Bacteroides thetaiotaomicron
要素
Putative disulphide-isomerase
キーワード
ISOMERASE (異性化酵素) / structural genomics (構造ゲノミクス) / putative disulphide-isomerase / thioredoxin fold / PSI-2 / Protein Structure Initiative / New York SGX Research Center for Structural Genomics / NYSGXRC
手法: simulating annealing / ソフトェア番号: 1 詳細: RECOORD scripts used - torsion angle dynamincs and refinement in a box of water refinement
NMR constraints
NOE constraints total: 2369 / NOE intraresidue total count: 621 / NOE long range total count: 641 / NOE medium range total count: 456 / NOE sequential total count: 596 / Hydrogen bond constraints total count: 64 / Protein phi angle constraints total count: 92 / Protein psi angle constraints total count: 92
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: 20 structures for lowest energy 計算したコンフォーマーの数: 200 / 登録したコンフォーマーの数: 20