HIV-1 Reverse Transcriptase in complex with a 2,6-difluorophenyl DAPY analog

Summary for 5K14
DescriptorHIV-1 reverse transcriptase(isolate HXB2), HIV-1 reverse transcriptase (isolate LW123), 4-{[4-(2,6-difluoro-4-methoxybenzene-1-carbonyl)pyrimidin-2-yl]amino}benzonitrile, ... (4 entities in total)
Functional Keywordshiv-1, reverse transcriptase, nnrti, inhibitor complex, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological sourceHuman immunodeficiency virus type 1 group M subtype B (isolate HXB2) (HIV-1)
Cellular locationGag-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 : P04585 P0C6F2
Total number of polymer chains2
Total formula weight116328.32
Lansdon, E.B. (deposition date: 2016-05-17, release date: 2016-06-29, Last modification date: 2016-07-20)
Primary citationBaszczynski, O.,Hu, E.,Janeba, Z.,Jansa, P.,Lansdon, E.B.,Saman, D.,Simon, P.,Stepan, G.
Novel (2,6-difluorophenyl)(2-(phenylamino)pyrimidin-4-yl)methanones with restricted conformation as potent non-nucleoside reverse transcriptase inhibitors against HIV-1.
Eur.J.Med.Chem., 122:185-195, 2016
PubMed: 27371922
DOI: 110.1016/j.ejmech.2016.06.026
PDB entries with the same primary citation
Experimental method
Structure validation
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PDB entries from 2021-06-09