4I7F

HIV-1 Reverse Transcriptase in complex with a phosphonate analog of nevirapine

Summary for 4I7F

• Entry DOI: 10.2210/pdb4i7f/pdb
• Descriptor: Reverse transcriptase, diethyl ({4-[2-(11-ethyl-5-methyl-6-oxo-6,11-dihydro-5H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-8-yl)ethyl]phenoxy}methyl)phosphonate, SULFATE ION, ... (7 entities in total)
• Functional Keywords: nnrti, hiv, reverse transcriptase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: HIV-1 M:B_HXB2R (HIV-1); More
• Cellular location: Gag-Pol polyprotein: Host cell membrane; Lipid-anchor . Matrix protein p17: Virion membrane; Lipid- anchor . Capsid protein p24: Virion . Nucleocapsid protein p7: Virion . Reverse transcriptase/ribonuclease H: Virion . Integrase: Virion : P04585 P04585
• Total number of polymer chains: 2
• Total formula weight: 116966.01

Authors

Lansdon, E.B.,Parrish, J. (deposition date: 2012-11-30, release date: 2013-02-20, Last modification date: 2023-09-20)

Primary citation

Parrish, J.,Tong, L.,Wang, M.,Chen, X.,Lansdon, E.B.,Cannizzaro, C.,Zheng, X.,Desai, M.C.,Xu, L.
Synthesis and biological evaluation of phosphonate analogues of nevirapine.
Bioorg.Med.Chem.Lett., 23:1493-1497, 2013

PubMed Abstract: A series of nevirapine-based analogues containing the phosphonate functionality were prepared and evaluated in vitro against HIV RT. The effect of the phosphonate was evaluated against the wild type and Y181C HIV replication. An in vivo PK study was performed on a select analogue.

PubMed: 23375792
DOI: 10.1016/j.bmcl.2012.12.049

Experimental method

X-RAY DIFFRACTION (2.5 Å)