- PDB-5sf2: Crystal Structure of human phosphodiesterase 10 in complex with 6... -
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基本情報
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データベース: PDB / ID: 5sf2
タイトル
Crystal Structure of human phosphodiesterase 10 in complex with 6-cyclopropyl-N-(3-oxo-1,2-dihydroisoindol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
要素
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
構造決定の手法: 分子置換 開始モデル: inhouse model 解像度: 2.02→44.93 Å / Cor.coef. Fo:Fc: 0.965 / Cor.coef. Fo:Fc free: 0.955 / SU B: 5.505 / SU ML: 0.137 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.168 / ESU R Free: 0.152 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: all four ligands have been modeled with 0.5 occupancy use this structure with caution the active sites have several mutually exclusive alternate conformations and water positions
Rfactor
反射数
%反射
Selection details
Rfree
0.2292
1465
5 %
RANDOM
Rwork
0.1954
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obs
0.1971
28035
94.06 %
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溶媒の処理
イオンプローブ半径: 0.8 Å / 減衰半径: 0.8 Å / VDWプローブ半径: 1.2 Å / 溶媒モデル: MASK