- PDB-5si0: Crystal Structure of human phosphodiesterase 10 in complex with 7... -
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基本情報
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データベース: PDB / ID: 5si0
タイトル
Crystal Structure of human phosphodiesterase 10 in complex with 7-methyl-2,5-bis[2-(1-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: 2.27→43.61 Å / Cor.coef. Fo:Fc: 0.969 / Cor.coef. Fo:Fc free: 0.948 / SU B: 8.29 / SU ML: 0.187 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.272 / ESU R Free: 0.215 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: 5-Cyclopentyl-1-methyl-1H-[1,2,4]triazol-3-yl connected to triazolopyrimidine core may be rotated 180deg as was built for molecule A and is less well defined by electron density as the same ...詳細: 5-Cyclopentyl-1-methyl-1H-[1,2,4]triazol-3-yl connected to triazolopyrimidine core may be rotated 180deg as was built for molecule A and is less well defined by electron density as the same group in the glycine pocket.
Rfactor
反射数
%反射
Selection details
Rfree
0.2319
3534
5 %
RANDOM
Rwork
0.1796
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obs
0.1822
67839
96.05 %
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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