6X4C
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)-4-fluorophenoxy)-5,8-dimethyl-2-naphthonitrile (JLJ658), a Non-nucleoside Inhibitor
Summary for 6X4C
Entry DOI | 10.2210/pdb6x4c/pdb |
Descriptor | Reverse transcriptase/ribonuclease H, p51 RT, 7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-5,8-dimethylnaphthalene-2-carbonitrile (3 entities in total) |
Functional Keywords | polymerase, reverse transcriptase, non-nucleoside inhibitor, transferase, hydrolase-inhibitor complex, hydrolase-nhibitor complex, hydrolase/nhibitor |
Biological source | Human immunodeficiency virus type 1 group M subtype B More |
Total number of polymer chains | 2 |
Total formula weight | 114474.17 |
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 Cited by PubMed: 32643196DOI: 10.1002/pro.3910 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.861 Å) |
Structure validation
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