4MFB

Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 8-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)indolizine-2-carbonitrile (JLJ555), a non-nucleoside inhibitor

Summary for 4MFB

• Entry DOI: 10.2210/pdb4mfb/pdb
• Related: 1S9E 4H4M 4H4O 4KKO 4LSL 4LSN
• Descriptor: HIV-1 reverse transcriptase, p66 subunit, HIV-1 reverse transcriptase, p51 subunit, 8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}indolizine-2-carbonitrile, ... (4 entities in total)
• Functional Keywords: polymerase, transferase, hydrolase, rnaseh, 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: 114417.10

Authors

Frey, K.M.,Anderson, K.S. (deposition date: 2013-08-27, release date: 2013-11-06, Last modification date: 2023-09-20)

• Primary citation: Lee, W.G.,Gallardo-Macias, R.,Frey, K.M.,Spasov, K.A.,Bollini, M.,Anderson, K.S.,Jorgensen, W.L.; Picomolar Inhibitors of HIV Reverse Transcriptase Featuring Bicyclic Replacement of a Cyanovinylphenyl Group.; J.Am.Chem.Soc., 135:16705-16713, 2013; PubMed: 24151856; DOI: 10.1021/ja408917n

Experimental method

X-RAY DIFFRACTION (2.88 Å)