5TW3

Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)-4-fluorophenoxy)-7-fluoro-2-naphthonitrile (JLJ636), a Non-nucleoside Inhibitor

Summary for 5TW3

• Entry DOI: 10.2210/pdb5tw3/pdb
• Related: 4WE1
• Descriptor: HIV-1 REVERSE TRANSCRIPTASE, P66 SUBUNIT, HIV-1 REVERSE TRANSCRIPTASE, P51 SUBUNIT, 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-7-fluoronaphthalene-2-carbonitrile, ... (5 entities in total)
• Functional Keywords: polymerase, reverse transcriptase, hiv, non-nucleoside inhibitor, transferase, hydrolase-dna-inhibitor complex, hydrolase-inhibitor complex, hydrolase/inhibitor
• Biological source: Human immunodeficiency virus type 1 group M subtype B (isolate BH10) (HIV-1); More
• Total number of polymer chains: 2
• Total formula weight: 114488.41

Authors

Chan, A.H.,Anderson, K.S. (deposition date: 2016-11-11, release date: 2017-03-15, Last modification date: 2023-10-04)

• Primary citation: Kudalkar, S.N.,Beloor, J.,Chan, A.H.,Lee, W.G.,Jorgensen, W.L.,Kumar, P.,Anderson, K.S.; Structural and Preclinical Studies of Computationally Designed Non-Nucleoside Reverse Transcriptase Inhibitors for Treating HIV infection.; Mol. Pharmacol., 91:383-391, 2017; PubMed: 28167742; DOI: 10.1124/mol.116.107755

Experimental method

X-RAY DIFFRACTION (2.853 Å)