- PDB-3s42: Crystal Structure of the 3-Dehydroquinate Dehydratase (aroD) from... -
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基本情報
登録情報
データベース: PDB / ID: 3s42
タイトル
Crystal Structure of the 3-Dehydroquinate Dehydratase (aroD) from Salmonella enterica Typhimurium LT2 with Malonate and Boric Acid at the Active Site
要素
3-dehydroquinate dehydratase
キーワード
LYASE / Structural Genomics / Center for Structural Genomics of Infectious Diseases / CSGID / TIM BARREL
機能・相同性
機能・相同性情報
3,4-dihydroxybenzoate biosynthetic process / 3-dehydroquinate dehydratase / 3-dehydroquinate dehydratase activity / chorismate biosynthetic process / aromatic amino acid family biosynthetic process / amino acid biosynthetic process 類似検索 - 分子機能
: / 3-dehydroquinate dehydratase, active site / Dehydroquinase class I active site. / 3-dehydroquinate dehydratase type I / Type I 3-dehydroquinase / Aldolase class I / Aldolase-type TIM barrel / TIM Barrel / Alpha-Beta Barrel / Alpha Beta 類似検索 - ドメイン・相同性
BORIC ACID / IMIDAZOLE / MALONIC ACID / NICKEL (II) ION / 3-dehydroquinate dehydratase 類似検索 - 構成要素
解像度: 1.45→28.56 Å / Cor.coef. Fo:Fc: 0.972 / Cor.coef. Fo:Fc free: 0.96 / SU B: 2.035 / SU ML: 0.037 / 交差検証法: THROUGHOUT / ESU R: 0.065 / ESU R Free: 0.067 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD / 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
反射数
%反射
Selection details
Rfree
0.17527
4091
5 %
RANDOM
Rwork
0.14352
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obs
0.14515
77604
99.63 %
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all
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77604
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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