- PDB-5sfw: Crystal Structure of human phosphodiesterase 10 in complex with 5... -
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基本情報
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データベース: PDB / ID: 5sfw
タイトル
Crystal Structure of human phosphodiesterase 10 in complex with 5-ethyl-8-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine
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: 2.15→43.65 Å / Cor.coef. Fo:Fc: 0.961 / Cor.coef. Fo:Fc free: 0.941 / SU B: 7.267 / SU ML: 0.171 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.255 / ESU R Free: 0.214 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: ethyl group has sub-optimal conformation, could have two possible orientations but would require water to move, too
Rfactor
反射数
%反射
Selection details
Rfree
0.2406
3773
5 %
RANDOM
Rwork
0.1818
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obs
0.1846
71620
86.49 %
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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