4O44

Crystal Structure of HIV-1 Reverse Transcriptase in complex with 4-((4-(mesitylamino)-6-(3-morpholinopropoxy)-1,3,5-triazin-2-yl)amino)benzonitrile (JLJ529), a non-nucleoside inhibitor

Summary for 4O44

• Entry DOI: 10.2210/pdb4o44/pdb
• Related: 1S9E 2ZD1 4KKO 4O4G
• Descriptor: HIV-1 reverse transcriptase, p66 subunit, HIV-1 reverse transcriptase, p51 subunit, 4-({4-[3-(morpholin-4-yl)propoxy]-6-[(2,4,6-trimethylphenyl)amino]-1,3,5-triazin-2-yl}amino)benzonitrile, ... (4 entities in total)
• Functional Keywords: polymerase, rnase, reverse transcription, 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: 114502.30

Authors

Mislak, A.C.,Frey, K.M.,Anderson, K.S. (deposition date: 2013-12-18, release date: 2014-05-21, Last modification date: 2023-09-20)

• Primary citation: Mislak, A.C.,Frey, K.M.,Bollini, M.,Jorgensen, W.L.,Anderson, K.S.; A mechanistic and structural investigation of modified derivatives of the diaryltriazine class of NNRTIs targeting HIV-1 reverse transcriptase.; Biochim.Biophys.Acta, 1840:2203-2211, 2014; PubMed: 24726448; DOI: 10.1016/j.bbagen.2014.04.001

Experimental method

X-RAY DIFFRACTION (2.889 Å)