5FDL

Crystal Structure of K103N/Y181C Mutant HIV-1 Reverse Transcriptase (RT) in Complex with IDX899

Summary for 5FDL

• Entry DOI: 10.2210/pdb5fdl/pdb
• Descriptor: P51 Reverse transcriptase, P66 Reverse transcriptase, methyl (R)-(2-carbamoyl-5-chloro-1H-indol-3-yl)[3-(2-cyanoethyl)-5-methylphenyl]phosphinate (3 entities in total)
• Functional Keywords: hiv-1 reverse transcriptase, phosphoindole, nnrti, mutation, hydrolase
• Biological source: Human immunodeficiency virus 1 (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 : P03366 P03366
• Total number of polymer chains: 2
• Total formula weight: 115798.16

Authors

Dousson, C.B.,Alexandre, F.-R.,Convard, T.,Fisher, M.,Lamers, M.B.A.C.,Leonard, P.M. (deposition date: 2015-12-16, release date: 2016-02-17, Last modification date: 2024-01-10)

• Primary citation: Dousson, C.,Alexandre, F.R.,Amador, A.,Bonaric, S.,Bot, S.,Caillet, C.,Convard, T.,da Costa, D.,Lioure, M.P.,Roland, A.,Rosinovsky, E.,Maldonado, S.,Parsy, C.,Trochet, C.,Storer, R.,Stewart, A.,Wang, J.,Mayes, B.A.,Musiu, C.,Poddesu, B.,Vargiu, L.,Liuzzi, M.,Moussa, A.,Jakubik, J.,Hubbard, L.,Seifer, M.,Standring, D.; Discovery of the Aryl-phospho-indole IDX899, a Highly Potent Anti-HIV Non-nucleoside Reverse Transcriptase Inhibitor.; J.Med.Chem., 59:1891-1898, 2016; PubMed: 26804933; DOI: 10.1021/acs.jmedchem.5b01430

Experimental method

X-RAY DIFFRACTION (3.1 Å)