4KKO

Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 4-((4-methoxy-6-(2-morpholinoethoxy)-1,3,5-triazin-2-yl)amino)-2-((3-methylbut-2-en-1-yl)oxy)benzonitrile (JLJ513), a non-nucleoside inhibitor

Summary for 4KKO

• Entry DOI: 10.2210/pdb4kko/pdb
• Related: 1S9E 2ZD1 4H4M 4H4O 4KO0
• Descriptor: HIV-1 reverse transcriptase, p66 subunit, HIV-1 reverse transcriptase, p51 subunit, 4-({4-methoxy-6-[2-(morpholin-4-yl)ethoxy]-1,3,5-triazin-2-yl}amino)-2-(3-methylbutoxy)benzonitrile (3 entities in total)
• Functional Keywords: polymerase, transferase, hydrolase/inhibitor, rnase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Human immunodeficiency virus type 1 (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: 114471.24

Authors

Frey, K.M.,Anderson, K.S. (deposition date: 2013-05-06, release date: 2013-08-14, Last modification date: 2023-09-20)

• Primary citation: Bollini, M.,Frey, K.M.,Cisneros, J.A.,Spasov, K.A.,Das, K.,Bauman, J.D.,Arnold, E.,Anderson, K.S.,Jorgensen, W.L.; Extension into the entrance channel of HIV-1 reverse transcriptase-Crystallography and enhanced solubility.; Bioorg.Med.Chem.Lett., 23:5209-5212, 2013; PubMed: 23899617; DOI: 10.1016/j.bmcl.2013.06.093

Experimental method

X-RAY DIFFRACTION (2.89 Å)