4H4O

Crystal Structure of HIV-1 Reverse Transcriptase (RT) in Complex with (E)-3-(3-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)- 4-fluorophenoxy)-5-fluorophenyl)acrylonitrile (JLJ506), A Non-nucleoside inhibitor

Summary for 4H4O

• Entry DOI: 10.2210/pdb4h4o/pdb
• Related: 1S9E 2BE2 2ZD1 4H4M
• Descriptor: Reverse transcriptase/ribonuclease H, Exoribonuclease H, p66 RT, Reverse transcriptase/ribonuclease H, Exoribonuclease H, p51 RT, (2E)-3-(3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-5-fluorophenyl)prop-2-enenitrile, ... (4 entities in total)
• Functional Keywords: polymerase, transferase, hydrolase/inhibitor, rnase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Human immunodeficiency virus type 1 BH10 (HIV-1); More
• Cellular location: Gag-Pol polyprotein: Host cell membrane; Lipid-anchor. Matrix protein p17: Virion membrane; Lipid- anchor . Capsid protein p24: Virion . Nucleocapsid protein p7: Virion . Reverse transcriptase/ribonuclease H: Virion . Integrase: Virion : P03366 P03366
• Total number of polymer chains: 2
• Total formula weight: 114440.08

Authors

Frey, K.M.,Anderson, K.S. (deposition date: 2012-09-17, release date: 2012-12-05, Last modification date: 2023-09-20)

• Primary citation: Frey, K.M.,Bollini, M.,Mislak, A.C.,Cisneros, J.A.,Gallardo-Macias, R.,Jorgensen, W.L.,Anderson, K.S.; Crystal Structures of HIV-1 Reverse Transcriptase with Picomolar Inhibitors Reveal Key Interactions for Drug Design.; J.Am.Chem.Soc., 134:19501-19503, 2012; PubMed: 23163887; DOI: 10.1021/ja3092642

Experimental method

X-RAY DIFFRACTION (2.9 Å)