- PDB-2i7u: Structural and Dynamical Analysis of a Four-Alpha-Helix Bundle wi... -
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基本情報
登録情報
データベース: PDB / ID: 2i7u
タイトル
Structural and Dynamical Analysis of a Four-Alpha-Helix Bundle with Designed Anesthetic Binding Pockets
要素
Four-alpha-helix bundle
キーワード
DE NOVO PROTEIN/LIGAND BINDING PROTEIN / ALPHA HELIX / HOMO DIMER / FOUR-ALPHA-HELIX BUNDLE / ANESTHETIC BINDING / DE NOVO PROTEIN-LIGAND BINDING PROTEIN COMPLEX
機能・相同性
Single alpha-helices involved in coiled-coils or other helix-helix interfaces - #1010 / Single alpha-helices involved in coiled-coils or other helix-helix interfaces / Helix non-globular / Special
分子量: 6877.092 Da / 分子数: 2 / 由来タイプ: 合成 詳細: This protein is a designed water-soluble variant of the transmembrane domains of ion channel proteins. It contains a binding pocket for anesthetics.
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実験情報
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実験
実験
手法: 溶液NMR
NMR実験
Conditions-ID
Experiment-ID
Solution-ID
タイプ
1
1
1
3D 15N-separated NOESY
1
2
1
3D 13C-separated NOESY
1
3
1
HNCO
1
4
1
CBCA(CO)NH
1
5
1
HN(CA)CB
1
6
1
2D NOESY
1
7
1
HSQC
1
8
1
HNCA
1
9
1
HN(CO)CA
1
10
1
HBHA(CO)NH
1
11
1
HBHANH
1
12
1
R1Relaxation
1
13
1
R2Relaxation
1
14
1
HeteronuclearNOE
NMR実験の詳細
Text: The structure was determined using standard 3D experiments and the program CYANA
H. Moseley; D. Zimmerman; C. Kulikowski; G. Montelione
データ解析
Monte
2.02
Hitchens, T.K.; Lukin, J.A.; Zhan, Y.; Rule, G.S.
データ解析
CYANA
2.1
Guntert, P.
精密化
精密化
手法: torsion angle dynamics / ソフトェア番号: 1 詳細: The structures are based on a total of 1118 restraints relative to the dimer, including 858 NOE-derived distance constraints, 180 dihedral angle restraints and 80 distance restraints from hydrogen bonds.
代表構造
選択基準: the lowest target function
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: 10