7SO6

Crystal Structure of HIV-1 K103N, 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 7SO6

Entry DOI	10.2210/pdb7so6/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, viral protein
Biological source	Human immunodeficiency virus type 1 group M subtype B More
Total number of polymer chains	2
Total formula weight	114395.31
Authors	Bertoletti, N.,Frey, K.M.,Anderson, K.S.,Cisneros Trigo, J.A.,Jorgensen, W.L.,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 Cited by PubMed: 35237658 DOI: 10.3389/fmolb.2022.805187 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.79 Å)

Structure validation