- PDB-4ciy: Crystal structure of Mycobacterium tuberculosis type 2 dehydroqui... -
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基本情報
登録情報
データベース: PDB / ID: 4ciy
タイトル
Crystal structure of Mycobacterium tuberculosis type 2 dehydroquinase in complex with (1R,4R,5R)-1,4,5-trihydroxy-3-((1R)-1-hydroxy-2- phenyl)ethylcyclohex-2-en-1-carboxylic acid
要素
3-DEHYDROQUINATE DEHYDRATASE
キーワード
LYASE / INHIBITOR / PROTEIN BINDING / SHIKIMIS ACID P SUBSTRATE SPECIFICITY
機能・相同性
機能・相同性情報
quinate catabolic process / Chorismate via Shikimate Pathway / 3-dehydroquinate dehydratase / 3-dehydroquinate dehydratase activity / chorismate biosynthetic process / aromatic amino acid family biosynthetic process / amino acid biosynthetic process / cytosol 類似検索 - 分子機能
Dehydroquinase, class II / Dehydroquinase, class II, conserved site / Dehydroquinase class II signature. / Dehydroquinase, class II / Dehydroquinase, class II superfamily / Dehydroquinase class II / Rossmann fold / 3-Layer(aba) Sandwich / Alpha Beta 類似検索 - ドメイン・相同性
解像度: 2.1→38.08 Å / Cor.coef. Fo:Fc: 0.971 / Cor.coef. Fo:Fc free: 0.94 / SU B: 4.065 / SU ML: 0.11 / 交差検証法: THROUGHOUT / ESU R: 0.156 / ESU R Free: 0.15 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. U VALUES ARE REFINED INDIVIDUALLY. GAP BY DISORDERED REGION BETWEEN ARG-18 AND TYR-24 INHIBITOR INCLUDED IN ENZYME ACTIVE SITE BY SOAKING OF ...詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. U VALUES ARE REFINED INDIVIDUALLY. GAP BY DISORDERED REGION BETWEEN ARG-18 AND TYR-24 INHIBITOR INCLUDED IN ENZYME ACTIVE SITE BY SOAKING OF APO- CRYSTALS IN INHIBITOR SOLUTION
Rfactor
反射数
%反射
Selection details
Rfree
0.19754
472
4.8 %
RANDOM
Rwork
0.14549
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obs
0.14802
9359
99.8 %
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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