4RW4

Crystal Structure of HIV-1 Reverse Transcriptase (K103N,Y181C) variant in complex with (E)-3-(3-chloro-5-(4-chloro-2-(2-(2,4-dioxo-3,4- dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile (JLJ494), a Non-nucleoside Inhibitor

Summary for 4RW4

• Entry DOI: 10.2210/pdb4rw4/pdb
• Related: 1JKH 1JLA 1JLC 3BGR 4H4M 4H4O 4I2Q 4LSL 4MFB 4RW6 4RW7 4RW8 4RW9
• Descriptor: Reverse transcriptase/ribonuclease H, p66 subunit, Reverse transcriptase/ribonuclease H, p51 subunit, (2E)-3-(3-chloro-5-{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 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: 114397.88

Authors

Frey, K.M.,Anderson, K.S. (deposition date: 2014-12-01, release date: 2015-04-29, Last modification date: 2023-09-20)

• Primary citation: Frey, K.M.,Puleo, D.E.,Spasov, K.A.,Bollini, M.,Jorgensen, W.L.,Anderson, K.S.; Structure-Based Evaluation of Non-nucleoside Inhibitors with Improved Potency and Solubility That Target HIV Reverse Transcriptase Variants.; J.Med.Chem., 58:2737-2745, 2015; PubMed: 25700160; DOI: 10.1021/jm501908a

Experimental method

X-RAY DIFFRACTION (2.674 Å)