1T3R

HIV protease wild-type in complex with TMC114 inhibitor

1T3R の概要

• エントリーDOI: 10.2210/pdb1t3r/pdb
• 関連するPDBエントリー: 1F7A 1T7I 1T7J
• 分子名称: protease RETROPEPSIN, PHOSPHATE ION, (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ... (4 entities in total)
• 機能のキーワード: hiv-1 protease; drug resistance; 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): P03369
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 22626.05

構造登録者

King, N.M.,Prabu-Jeyabalan, M.,Nalivaika, E.A.,Wigernick, P.B.,de Bethune, M.P.,Schiffer, C.A. (登録日: 2004-04-27, 公開日: 2005-05-03, 最終更新日: 2023-08-23)

• 主引用文献: Surleraux, D.L.,Tahri, A.,Verschueren, W.G.,Pille, G.M.,de Kock, H.A.,Jonckers, T.H.,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.; 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 (1.2 Å)