6X4D

Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 5-(cyclopropylmethyl)-7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-8-methyl-2-naphthonitrile (JLJ678), a Non-nucleoside Inhibitor

Summary for 6X4D

• Entry DOI: 10.2210/pdb6x4d/pdb
• Descriptor: Reverse transcriptase/ribonuclease H, p51 RT, 5-(cyclopropylmethyl)-7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-8-methylnaphthalene-2-carbonitrile, ... (5 entities in total)
• Functional Keywords: polymerase, reverse transcriptase, non-nucleoside inhibitor, transferase, hydrolase-inhibitor complex, hydrolase/inhibitor
• Biological source: Human immunodeficiency virus type 1 group M subtype B; More
• Total number of polymer chains: 2
• Total formula weight: 114688.37

Authors

Chan, A.H.,Duong, V.N.,Ippolito, J.A.,Jorgensen, W.L.,Anderson, K.S. (deposition date: 2020-05-22, release date: 2020-07-22, Last modification date: 2023-10-18)

• Primary citation: Duong, V.N.,Ippolito, J.A.,Chan, A.H.,Lee, W.G.,Spasov, K.A.,Jorgensen, W.L.,Anderson, K.S.; Structural investigation of 2-naphthyl phenyl ether inhibitors bound to WT and Y181C reverse transcriptase highlights key features of the NNRTI binding site.; Protein Sci., 29:1902-1910, 2020; PubMed: 32643196; DOI: 10.1002/pro.3910

Experimental method

X-RAY DIFFRACTION (2.65 Å)