4RW7
Crystal Structure of HIV-1 Reverse Transcriptase (K103N, Y181C) variant in complex with (E)-3-(3-chloro-5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile (JLJ532), a non-nucleoside inhibitor
Summary for 4RW7
Entry DOI | 10.2210/pdb4rw7/pdb |
Related | 1JKH 1JLA 1JLC 3BGR 4H4M 4H4O 4I2Q 4LSL 4MFB 4RW4 4RW6 4RW8 4RW9 |
Descriptor | Reverse transcriptase/ribonuclease H, p66 subunit, Reverse transcriptase/ribonuclease H, p51 subunit, (2E)-3-(3-chloro-5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile (3 entities in total) |
Functional Keywords | polymerase, transferase, rnaseh, hydrolase, 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 | 114363.44 |
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 Cited by PubMed: 25700160DOI: 10.1021/jm501908a PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (3.014 Å) |
Structure validation
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