- PDB-4py2: Crystal structure of methionyl-tRNA synthetase MetRS from Brucell... -
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基本情報
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データベース: PDB / ID: 4py2
タイトル
Crystal structure of methionyl-tRNA synthetase MetRS from Brucella melitensis in complex with inhibitor 1-{3-[(3,5-DICHLOROBENZYL)AMINO]PROPYL}-3-THIOPHEN-3-YLUREA
要素
Methionine--tRNA ligase
キーワード
ligase/ligase inhibitor / Structural Genomics / NIAID / National Institute of Allergy and Infectious Diseases / Seattle Structural Genomics Center for Infectious Disease / SSGCID / ligase / Methionyl-tRNA synthetase / ligase-ligase inhibitor complex
解像度: 2.15→97.43 Å / Cor.coef. Fo:Fc: 0.954 / Cor.coef. Fo:Fc free: 0.937 / WRfactor Rfree: 0.2032 / WRfactor Rwork: 0.1686 / FOM work R set: 0.8488 / SU B: 10.191 / SU ML: 0.132 / SU R Cruickshank DPI: 0.2286 / SU Rfree: 0.1768 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.229 / ESU R Free: 0.177 / 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 : WITH TLS ADDED
Rfactor
反射数
%反射
Selection details
Rfree
0.2115
4393
4.9 %
RANDOM
Rwork
0.1777
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obs
0.1794
88924
98.27 %
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all
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93317
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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