7SNP

Crystal Structure of HIV-1 Reverse Transcriptase in Complex with (E)-3-(3-chloro-5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)-4-(2-morpholinoethoxy)phenoxy)phenyl)acrylonitrile (JLJ530)

Summary for 7SNP

• Entry DOI: 10.2210/pdb7snp/pdb
• Descriptor: Reverse transcriptase p66, p51 RT, (2E)-3-(3-chloro-5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-[2-(morpholin-4-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile, ... (4 entities in total)
• Functional Keywords: polymerase, transferase, hydrolase, rnaseh, transferase-viral protein complex, transferase/viral protein
• Biological source: Human immunodeficiency virus type 1 (HIV-1); More
• Total number of polymer chains: 2
• Total formula weight: 114567.71

Authors

Frey, K.M.,Anderson, K.S. (deposition date: 2021-10-28, release date: 2022-03-16, Last modification date: 2023-10-18)

• Primary citation: Frey, K.M.,Bertoletti, N.,Chan, A.H.,Ippolito, J.A.,Bollini, M.,Spasov, K.A.,Jorgensen, W.L.,Anderson, K.S.; Structural Studies and Structure Activity Relationships for Novel Computationally Designed Non-nucleoside Inhibitors and Their Interactions With HIV-1 Reverse Transcriptase.; Front Mol Biosci, 9:805187-805187, 2022; PubMed: 35237658; DOI: 10.3389/fmolb.2022.805187

Experimental method

X-RAY DIFFRACTION (2.89 Å)