1T7I

The structural and thermodynamic basis for the binding of TMC114, a next-generation HIV-1 protease inhibitor.

1T7I の概要

• エントリーDOI: 10.2210/pdb1t7i/pdb
• 関連するPDBエントリー: 1F7A 1T3R
• 分子名称: Pol Polyprotein, PHOSPHATE ION, ACETATE ION, ... (5 entities in total)
• 機能のキーワード: hiv-1 protease, drug resitance, thermodynamics, substrate envelope, hydrolase
• 由来する生物種: Human immunodeficiency virus 1
• 細胞内の位置: Matrix protein p17: Virion (Potential). Capsid protein p24: Virion (Potential). Nucleocapsid protein p7: Virion (Potential). Reverse transcriptase/ribonuclease H: Virion (Potential). Integrase: Virion (Potential): P35963
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 22709.14

構造登録者

King, N.M.,Prabu-Jeyabalan, M.,Nalivaika, E.A.,Wigerinck, P.B.T.P.,De Bethune, M.-P.,Schiffer, C.A. (登録日: 2004-05-10, 公開日: 2005-05-10, 最終更新日: 2023-08-23)

• 主引用文献: Surleraux, D.L.N.G.,Tahri, A.,Verschueren, W.G.,Pille, G.M.E.,de Kock, H.A.,Jonckers, T.H.M.,Peeters, A.,De Meyer, S.,Azijn, H.,Pauwels, R.,de Bethune, M.-P.,King, N.M.,Prabu-Jeyabalan, M.,Schiffer, C.A.,Wigerinck, P.B.T.P.; Discovery and selection of TMC114, a next generation HIV-1 protease inhibitor; J.Med.Chem., 48:1813-1822, 2005; PubMed: 15771427; DOI: 10.1021/jm049560p

実験手法

X-RAY DIFFRACTION (1.35 Å)