- PDB-5sis: Crystal Structure of human phosphodiesterase 10 in complex with 4... -
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基本情報
登録情報
データベース: PDB / ID: 5sis
タイトル
Crystal Structure of human phosphodiesterase 10 in complex with 4-N,2-dimethyl-4-N-[2-(methylamino)ethyl]-3-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-3,4-dicarboxamide
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: 1.85→44.77 Å / Cor.coef. Fo:Fc: 0.963 / Cor.coef. Fo:Fc free: 0.958 / SU B: 2.871 / SU ML: 0.081 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.114 / ESU R Free: 0.107 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: the magnesium ion could also be potassium. the crystallization conditions contain KSCN. potassium refines well, magnesium has a low B-value and remaining difference density. The 2-methylamino- ...詳細: the magnesium ion could also be potassium. the crystallization conditions contain KSCN. potassium refines well, magnesium has a low B-value and remaining difference density. The 2-methylamino-ethyl chain is flexible but was assigned confidently
Rfactor
反射数
%反射
Selection details
Rfree
0.1996
1960
5 %
RANDOM
Rwork
0.1767
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obs
0.1778
37165
97.14 %
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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