4LSL

Crystal Structure of HIV-1 Reverse Transcriptase in Complex with (E)-3-(3-(4-chloro-2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile (JLJ476), a non-nucleoside inhibitor

Summary for 4LSL

• Entry DOI: 10.2210/pdb4lsl/pdb
• Related: 1S9E 2ZD1 4H4M 4H4O 4KKO 4LSN 4MFB
• Descriptor: HIV-1 reverse transcriptase, p66 subunit, HIV-1 reverse transcriptase, p51 subunit, (2E)-3-(3-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile, ... (4 entities in total)
• Functional Keywords: polymerase, transferase, hydrolase, rnaseh, 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: 114438.55

Authors

Frey, K.M.,Anderson, K.S. (deposition date: 2013-07-22, release date: 2013-12-25, Last modification date: 2023-09-20)

• Primary citation: Frey, K.M.,Gray, W.T.,Spasov, K.A.,Bollini, M.,Gallardo-Macias, R.,Jorgensen, W.L.,Anderson, K.S.; Structure-Based Evaluation of C5 Derivatives in the Catechol Diether Series Targeting HIV-1 Reverse Transcriptase.; Chem.Biol.Drug Des., 83:541-549, 2014; PubMed: 24289305; DOI: 10.1111/cbdd.12266

Experimental method

X-RAY DIFFRACTION (2.69 Å)