OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR / indoleamine 2 / 3-dioxygenagse 1 / induced fit (酵素反応) / structure based drug discovery / imidazothiazole / OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex
機能・相同性
機能・相同性情報
インドールアミン-2,3-ジオキシゲナーゼ / smooth muscle contractile fiber / indoleamine 2,3-dioxygenase activity / positive regulation of chronic inflammatory response / kynurenic acid biosynthetic process / tryptophan 2,3-dioxygenase activity / positive regulation of T cell tolerance induction / tryptophan catabolic process to kynurenine / stereocilium bundle / positive regulation of type 2 immune response ...インドールアミン-2,3-ジオキシゲナーゼ / smooth muscle contractile fiber / indoleamine 2,3-dioxygenase activity / positive regulation of chronic inflammatory response / kynurenic acid biosynthetic process / tryptophan 2,3-dioxygenase activity / positive regulation of T cell tolerance induction / tryptophan catabolic process to kynurenine / stereocilium bundle / positive regulation of type 2 immune response / 'de novo' NAD biosynthetic process from tryptophan / tryptophan catabolic process / Tryptophan catabolism / positive regulation of T cell apoptotic process / negative regulation of T cell apoptotic process / swimming behavior / negative regulation of interleukin-10 production / multicellular organismal response to stress / T cell proliferation / negative regulation of T cell proliferation / positive regulation of interleukin-12 production / female pregnancy / response to lipopolysaccharide / electron transfer activity / 炎症 / heme binding / metal ion binding / 細胞質基質 / 細胞質 類似検索 - 分子機能
プロトコル: SINGLE WAVELENGTH / 単色(M)・ラウエ(L): M / 散乱光タイプ: x-ray
放射波長
波長: 1 Å / 相対比: 1
反射
解像度: 3.45→91.12 Å / Num. obs: 14275 / % possible obs: 100 % / 冗長度: 5.8 % / Rmerge(I) obs: 0.096 / Net I/σ(I): 3
反射 シェル
解像度: 3.45→3.64 Å / 冗長度: 6.1 % / Rmerge(I) obs: 0.245 / Mean I/σ(I) obs: 2.2 / % possible all: 99.4
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解析
ソフトウェア
名称: REFMAC / バージョン: 5.8.0049 / 分類: 精密化
精密化
解像度: 3.45→75.65 Å / Cor.coef. Fo:Fc: 0.918 / Cor.coef. Fo:Fc free: 0.877 / SU B: 29.339 / SU ML: 0.458 / 交差検証法: THROUGHOUT / ESU R Free: 0.6 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD / 詳細: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
Rfactor
反射数
%反射
Selection details
Rfree
0.25604
700
4.9 %
RANDOM
Rwork
0.18999
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-
-
obs
0.19323
13574
99.99 %
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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