7SO4

Crystal Structure of HIV-1 Y181C mutant Reverse Transcriptase in Complex with 5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-7-fluoro-2-naphthonitrile (JLJ635), a Non-nucleoside Inhibitor

Summary for 7SO4

• Entry DOI: 10.2210/pdb7so4/pdb
• Descriptor: Reverse transcriptase/ribonuclease H, p51 RT, 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-7-fluoronaphthalene-2-carbonitrile, ... (5 entities in total)
• Functional Keywords: nnrtis, hiv-1, drug design, transferase, hydrolase, transferase-viral protein complex, transferase/viral protein
• Biological source: Human immunodeficiency virus type 1 group M subtype B (isolate BH10); More
• Total number of polymer chains: 2
• Total formula weight: 114482.15

Authors

Bertoletti, N.,Anderson, K.S.,Cisneros Trigo, J.A.,Jorgensen, W.L.,Frey, K.M.,Chan, A.H. (deposition date: 2021-10-29, 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 (2.95 Å)