4LSN
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with (E)-3-(3-bromo-5-(4-chloro-2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile (JLJ518), a non-nucleoside inhibitor
Summary for 4LSN
Entry DOI | 10.2210/pdb4lsn/pdb |
Related | 1S9E 2ZD1 4H4M 4H4O 4KKO 4LSL 4MFB |
Descriptor | HIV-1 reverse transcriptase, p66 subunit, HIV-1 reverse transcriptase, p51 subunit, (2E)-3-(3-bromo-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 (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 | 114517.44 |
Authors | Gray, W.T.,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 Cited by PubMed: 24289305DOI: 10.1111/cbdd.12266 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (3.1 Å) |
Structure validation
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